Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9036671

Cl.Fc1ccc(CCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1

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
ADRA1D known ✓ P25100 3/20 0.54
ADRA1A known ✓ P35348 3/20 0.54
KCNH2 known ✓ Q12809 3/20 0.54
SLC6A4 known ✓ P31645 3/20 0.54
HTR1A known ✓ P08908 2/20 0.54
DRD2 known ✓ P14416 2/20 0.54
HTR2A known ✓ P28223 2/20 0.54
HTR7 known ✓ P34969 2/20 0.54
HRH1 known ✓ P35367 2/20 0.54
DRD3 known ✓ P35462 2/20 0.54
HTR2B known ✓ P41595 2/20 0.54
SLC6A3 known ✓ Q01959 2/20 0.54
CHRM2 known ✓ P08172 1/20 0.54
CHRM4 known ✓ P08173 1/20 0.54
CHRM5 known ✓ P08912 1/20 0.54
ADRA2A known ✓ P08913 1/20 0.54
CHRM1 known ✓ P11229 1/20 0.54
ADRA2B known ✓ P18089 1/20 0.54
ADRA2C known ✓ P18825 1/20 0.54
CHRM3 known ✓ P20309 1/20 0.54

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
SCHEMBL7300712 0.99 SETD7 (0.58) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7212638 0.89 SETD7 (0.62) SETD7MEN1LMNAMAPTPMP22
SCHEMBL9034546 0.88 SETD7 (0.64) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7218968 0.87 SETD7 (0.59) SETD7MEN1LMNAMAPTPMP22
SCHEMBL9034968 0.85 SETD7 (0.61) SETD7MEN1LMNAMAPTPMP22
SCHEMBL9591452 0.84 SETD7 (0.44) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7212855 0.82 SETD7 (0.66) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7212357 0.81 SETD7 (0.68) SETD7MEN1LMNAMAPTPMP22
SCHEMBL9035029 0.80 SETD7 (0.67) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7218758 0.80 SETD7 (0.60) SETD7MEN1LMNAMAPTPMP22

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
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP 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