Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7218994

C1=Cc2ccccc2C(=C2CCN(CCCCSc3ccccc3)CC2)c2ccccc21.Cl

nearest known ligand 0.64

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
HTR1A known ✓ P08908 3/20 0.51
DRD2 known ✓ P14416 3/20 0.51
HTR2A known ✓ P28223 3/20 0.51
HTR7 known ✓ P34969 3/20 0.51
DRD3 known ✓ P35462 3/20 0.51
HTR2B known ✓ P41595 3/20 0.51
CHRM2 known ✓ P08172 1/20 0.51
CHRM4 known ✓ P08173 1/20 0.51
CHRM5 known ✓ P08912 1/20 0.51
ADRA2A known ✓ P08913 1/20 0.51
CHRM1 known ✓ P11229 1/20 0.51
ADRA2B known ✓ P18089 1/20 0.51
ADRA2C known ✓ P18825 1/20 0.51
CHRM3 known ✓ P20309 1/20 0.51
DRD1 known ✓ P21728 1/20 0.51
SLC6A2 known ✓ P23975 1/20 0.51
HRH2 known ✓ P25021 1/20 0.51
ADRA1D known ✓ P25100 1/20 0.51
HTR2C known ✓ P28335 1/20 0.51
SLC6A4 known ✓ P31645 1/20 0.51

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 SCHEMBL7218754 0.96 SETD7 (0.62) SETD7MEN1KMT2ALMNAMAPT
SCHEMBL9035372 0.95 SETD7 (0.63) SETD7MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7218682 0.91 SETD7 (0.58) SETD7MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7218689 0.81 SETD7 (0.65) SETD7MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7212357 0.81 SETD7 (0.68) SETD7MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7218693 0.81 SETD7 (0.58) SETD7MEN1KMT2ALMNAMAPT
SCHEMBL7218739 0.80 SETD7 (0.75) SETD7MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7212715 0.80 SETD7 (0.63) SETD7MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7212567 0.80 SETD7 (0.70) SETD7MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL7218685 0.80 SETD7 (0.70) SETD7MEN1KMT2ALMNAMAPT

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 8 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 claimed
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
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US disclosed
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP disclosed
EP-0370712-A2 Ethylamine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-05-30 EP disclosed