Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5809408

CCCOc1ccccc1N1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1.Cl

nearest known ligand 0.62

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
DRD2 known ✓ P14416 5/20 0.60
DRD3 known ✓ P35462 4/20 0.60
HTR1A known ✓ P08908 4/20 0.52
HTR2A known ✓ P28223 3/20 0.51
ADRA1A known ✓ P35348 3/20 0.51
CHRM2 known ✓ P08172 2/20 0.51
ADRA2A known ✓ P08913 2/20 0.51
CHRM1 known ✓ P11229 2/20 0.51
ADRA2C known ✓ P18825 2/20 0.51
DRD1 known ✓ P21728 2/20 0.51
SLC6A2 known ✓ P23975 2/20 0.51
SLC6A4 known ✓ P31645 2/20 0.51
HRH1 known ✓ P35367 2/20 0.51
OPRM1 known ✓ P35372 2/20 0.51
SLC6A3 known ✓ Q01959 2/20 0.51
KCNH2 known ✓ Q12809 2/20 0.51
CHRM4 known ✓ P08173 1/20 0.51
ADRB1 known ✓ P08588 1/20 0.51
CHRM5 known ✓ P08912 1/20 0.51
ADRB3 known ✓ P13945 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 SCHEMBL5807965 0.91 KDM1A (0.65) KDM1ADRD2DRD3HTR1AHTR2A
SCHEMBL5805658 0.90 KDM1A (0.67) KDM1ADRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL5819949 0.89 DRD2 (0.51) KDM1ADRD2DRD3HTR1AHTR2A
SCHEMBL5816138 0.88 DRD2 (0.52) KDM1ADRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL5808276 0.86 KDM1A (0.66) KDM1ADRD2DRD3HTR1AADRA1A
SCHEMBL5804945 0.85 KDM1A (0.67) KDM1ADRD2DRD3HTR1AADRA1A
Hydrochloric Acid SCHEMBL5807967 0.84 DRD2 (0.60) DRD2DRD3HTR1AHTR2AADRA1A
Hydrochloric Acid SCHEMBL5805853 0.84 KDM1A (0.59) KDM1ADRD2DRD3HTR1AHTR2A
SCHEMBL5807093 0.83 DRD2 (0.61) DRD2DRD3HTR1AHTR2AADRA1A
Hydrochloric Acid SCHEMBL5809295 0.83 KDM1A (0.62) KDM1ADRD2DRD3HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed