Hydrochloric Acid

Hydrochloric Acid

SCHEMBL971234

Cl.N#CC1(N)CCSCC1

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2085552 0.97
SCHEMBL6765230 0.82
Hydrochloric Acid SCHEMBL28038248 0.80 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL345144 0.80
Hydrochloric Acid SCHEMBL1201605 0.80 ALDH1A1 (0.30)
SCHEMBL696010 0.76
Hydrochloric Acid SCHEMBL695268 0.75
Hydrochloric Acid SCHEMBL56064 0.75
Hydrochloric Acid SCHEMBL696355 0.72 ALDH1A1 (0.43)
Hydrochloric Acid SCHEMBL1273427 0.71

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2035427-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
EP-2035427-A2 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2009-03-18 EP disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 WO disclosed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
EP-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 EP disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 EP disclosed