Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7229185

COc1cccnc1-c1cccc(N=C(N)N)c1.Cl.Cl

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E known ✓ A5X5Y0 5/20 0.52
HTR3B known ✓ O95264 5/20 0.52
HTR3A known ✓ P46098 5/20 0.52
HTR3D known ✓ Q70Z44 5/20 0.52
HTR3C known ✓ Q8WXA8 5/20 0.52
ITGB3 known ✓ P05106 1/20 0.38
ITGA2B known ✓ P08514 1/20 0.38
SIGMAR1 known ✓ Q99720 1/20 0.37
TAAR1 Q96RJ0 1/20 0.55
PLAU P00749 6/20 0.54
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Hydrochloric Acid SCHEMBL7229288 0.82 PLAU (0.50) TAAR1PLAUHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7240210 0.81 HTR3E (0.46) TAAR1PLAUHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7238707 0.81 HTR3E (0.46) TAAR1PLAUHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7232462 0.80 TAAR1 (0.44) TAAR1PLAUHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7241086 0.78 HTR3E (0.44) TAAR1PLAUHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7843963 0.76 HTR3E (0.49) PLAUHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7233402 0.76 HTR3E (0.42) TAAR1PLAUHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7229238 0.76 KDM4E (0.51) TAAR1PLAUHTR3EHTR3BHTR3A
SCHEMBL7230871 0.76 MAP4K4 (0.50) PLAUMEN1ALDH1A1KMT2A
SCHEMBL7231945 0.76 BACE1 (0.37) PLAUKDM4EMEN1ALDH1A1PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed