Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1491219

CC(=O)[C@H](NCCc1cccc2ccccc12)c1cccc(C(F)(F)F)c1.Cl

nearest known ligand 0.49

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
SLC6A2 known ✓ P23975 3/20 0.46
SLC6A4 known ✓ P31645 3/20 0.46
ADRA2C known ✓ P18825 2/20 0.45
HTR2C known ✓ P28335 2/20 0.45
OPRM1 known ✓ P35372 2/20 0.45
DRD3 known ✓ P35462 2/20 0.45
CASR known ✓ P41180 2/20 0.45
HTR1A known ✓ P08908 1/20 0.45
HRH2 known ✓ P25021 1/20 0.45
HTR1D known ✓ P28221 1/20 0.45
HTR2A known ✓ P28223 1/20 0.45
HTR7 known ✓ P34969 1/20 0.45
ADRA1B known ✓ P35368 1/20 0.45
OPRK1 known ✓ P41145 1/20 0.45
HTR2B known ✓ P41595 1/20 0.45
HTR5A known ✓ P47898 1/20 0.45
HTR6 known ✓ P50406 1/20 0.45
SIGMAR1 known ✓ Q99720 1/20 0.45
ADRB1 known ✓ P08588 1/20 0.43
CHRM1 known ✓ P11229 1/20 0.43

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 SCHEMBL1491265 0.80 SLC6A4 (0.48) SLC6A2SLC6A4ADRA2CHTR2COPRM1
Hydrochloric Acid SCHEMBL2874447 0.80 SLC6A2 (0.43) SLC6A2SLC6A4ADRA2CHTR2COPRM1
SCHEMBL3796627 0.76 TRPM8 (0.42) SLC6A2SLC6A4ADRA2CHTR2COPRM1
SCHEMBL1491274 0.71 NPC1 (0.56) SLC6A2SLC6A4ADRA2CHTR2COPRM1
SCHEMBL31663470 0.71 NPC1 (0.56) SLC6A2SLC6A4ADRA2CHTR2COPRM1
Sulfuric Acid SCHEMBL9517959 0.71 SLC6A2 (0.45) SLC6A2SLC6A4ADRA2CHTR2COPRM1
Sulfuric Acid SCHEMBL9517956 0.71 SLC6A2 (0.45) SLC6A2SLC6A4ADRA2CHTR2COPRM1
SCHEMBL3804054 0.70 MTNR1A (0.42) SLC6A2SLC6A4ADRA2CHTR2COPRM1
SCHEMBL4798612 0.70 MTNR1A (0.47) SLC6A2SLC6A4ADRA2CHTR2COPRM1
SCHEMBL2787141 0.70 MTNR1A (0.47) SLC6A2SLC6A4ADRA2CHTR2COPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475641-A1 PROCESS FOR PREPARING CINACALCET ZaCh System S.p.A. (IT) 2012-07-18 EP disclosed
EP-2398763-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZaCh System S.p.A. (IT) 2011-12-28 EP disclosed
EP-2358659-A2 PROCESS FOR PREPARING CINACALCET ZaCh System S.p.A. (IT) 2011-08-24 EP disclosed
WO-2011029833-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-03-17 WO disclosed
WO-2010094674-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2010-08-26 WO disclosed
WO-2010049293-A2 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2010-05-06 WO disclosed