Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7212347

Cl.Clc1cccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1

nearest known ligand 0.57

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
SIGMAR1 known ✓ Q99720 1/20 0.57
HRH1 known ✓ P35367 3/20 0.49
CHRM2 known ✓ P08172 1/20 0.49
CHRM4 known ✓ P08173 1/20 0.49
HTR1A known ✓ P08908 1/20 0.49
CHRM5 known ✓ P08912 1/20 0.49
ADRA2A known ✓ P08913 1/20 0.49
CHRM1 known ✓ P11229 1/20 0.49
DRD2 known ✓ P14416 1/20 0.49
ADRA2B known ✓ P18089 1/20 0.49
ADRA2C known ✓ P18825 1/20 0.49
CHRM3 known ✓ P20309 1/20 0.49
DRD1 known ✓ P21728 1/20 0.49
SLC6A2 known ✓ P23975 1/20 0.49
HRH2 known ✓ P25021 1/20 0.49
ADRA1D known ✓ P25100 1/20 0.49
HTR2A known ✓ P28223 1/20 0.49
HTR2C known ✓ P28335 1/20 0.49
SLC6A4 known ✓ P31645 1/20 0.49
HTR7 known ✓ P34969 1/20 0.49

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
SCHEMBL9035321 0.99 SIGMAR1 (0.58) SIGMAR1SETD7MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7213868 0.88 SETD7 (0.66) SIGMAR1SETD7MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7218719 0.87 SETD7 (0.61) SIGMAR1SETD7MAPTMEN1KMT2A
SCHEMBL9035852 0.87 SETD7 (0.68) SIGMAR1SETD7MAPTMEN1KMT2A
SCHEMBL9034769 0.85 SETD7 (0.62) SIGMAR1SETD7MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9036319 0.85 SETD7 (0.56) SIGMAR1SETD7MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7212390 0.85 SETD7 (0.59) SETD7MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7212333 0.85 SETD7 (0.56) SIGMAR1SETD7MAPTMEN1KMT2A
SCHEMBL9035699 0.84 SETD7 (0.60) SETD7MAPTMEN1KMT2ALMNA
SCHEMBL9034482 0.84 SETD7 (0.57) SIGMAR1SETD7MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38257-E1 Piperdine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 2003-09-23 US disclosed
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP disclosed
US-5393890-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1995-02-28 US disclosed
US-5250681-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1993-10-05 US disclosed
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP disclosed