Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9645906

CC(OCc1ccccc1Oc1ccccc1)N1CCN(CC=Cc2ccccc2)CC1.Cl.Cl

nearest known ligand 0.48

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
OPRM1 known ✓ P35372 4/20 0.48
OPRK1 known ✓ P41145 3/20 0.48
GAA known ✓ P10253 3/20 0.48
OPRD1 known ✓ P41143 2/20 0.48
SIGMAR1 known ✓ Q99720 3/20 0.48
CHRM2 known ✓ P08172 2/20 0.48
CHRM4 known ✓ P08173 2/20 0.48
HTR1A known ✓ P08908 2/20 0.48
CHRM5 known ✓ P08912 2/20 0.48
ADRA2A known ✓ P08913 2/20 0.48
CHRM1 known ✓ P11229 2/20 0.48
DRD2 known ✓ P14416 2/20 0.48
ADRA2B known ✓ P18089 2/20 0.48
ADRA2C known ✓ P18825 2/20 0.48
CHRM3 known ✓ P20309 2/20 0.48
DRD1 known ✓ P21728 2/20 0.48
SLC6A2 known ✓ P23975 2/20 0.48
ADRA1D known ✓ P25100 2/20 0.48
HTR2A known ✓ P28223 2/20 0.48
SLC6A4 known ✓ P31645 2/20 0.48

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 SCHEMBL9646824 1.00 LMNA (0.48) LMNAMEN1KMT2AHIF1AOPRM1
Hydrochloric Acid SCHEMBL9645888 1.00 LMNA (0.48) LMNAMEN1KMT2AHIF1AOPRM1
Hydrochloric Acid SCHEMBL9647693 0.82 LMNA (0.47) LMNAMEN1KMT2AHIF1AOPRM1
Hydrochloric Acid SCHEMBL9647706 0.82 LMNA (0.47) LMNAMEN1KMT2AHIF1AOPRM1
Hydrochloric Acid SCHEMBL9646833 0.80 TDP1 (0.53) LMNAMEN1KMT2AHIF1AOPRM1
Hydrochloric Acid SCHEMBL9645909 0.80 TDP1 (0.53) LMNAMEN1KMT2AHIF1AOPRM1
Hydrochloric Acid SCHEMBL9645895 0.80 TDP1 (0.53) LMNAMEN1KMT2AHIF1AOPRM1
Hydrochloric Acid SCHEMBL9647728 0.77 SLC6A4 (0.40) LMNAMEN1KMT2AMAPK1SLC6A2
SCHEMBL14024640 0.73 LMNA (0.70) LMNAMEN1KMT2AHIF1AOPRM1
SCHEMBL6161140 0.73 ALDH1A1 (0.59) LMNAMEN1KMT2AHIF1AOPRM1

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-0365064-B1 SUBSTITUTED AROMATIC COMPOUNDS HAVING AN ACTION ON THE CENTRAL NERVOUS SYSTEM AKZO N.V. (NL) 1992-10-21 EP disclosed
US-5051424-A Substituted aromatic compounds having an action on the central nervous system AKZO N.V. (NL) 1991-09-24 US disclosed
EP-0365064-A1 Substituted aromatic compounds having an action on the central nervous system AKZO N.V. (NL) 1990-04-25 EP disclosed