Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7709036

CN(CC(=O)O)C[C@H]1CCc2cc(C#N)ccc2[C@H]1c1ccccc1.Cl

nearest known ligand 0.68

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 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 3/20 0.42
SIGMAR1 known ✓ Q99720 2/20 0.37
DRD2 known ✓ P14416 2/20 0.36
DRD3 known ✓ P35462 2/20 0.36
DRD4 known ✓ P21917 1/20 0.36
OPRM1 known ✓ P35372 1/20 0.36
SLC6A2 known ✓ P23975 1/20 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
TACR1 known ✓ P25103 1/20 0.34
SLC6A9 P48067 1/20 0.68
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
FFAR1 O14842 1/20 0.42
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
ECE1 P42892 1/20 0.37
KDM4C Q9H3R0 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL7698359 0.87 SLC6A4 (0.55) SLC6A9MTNR1AMTNR1BSLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL7709388 0.84 SLC6A9 (0.72) SLC6A9MTNR1AMTNR1BPPARDSIGMAR1
SCHEMBL1761217 0.84 SLC6A9 (0.74) SLC6A9MTNR1AMTNR1BSLC6A4FFAR1
SCHEMBL7709405 0.84 SLC6A9 (0.74) SLC6A9MTNR1AMTNR1BSLC6A4FFAR1
Hydrochloric Acid SCHEMBL7706074 0.83 SLC6A9 (0.70) SLC6A9MTNR1AMTNR1BSIGMAR1DRD2
SCHEMBL12591535 0.82 SLC6A9 (0.71) SLC6A9MTNR1AMTNR1BSIGMAR1DRD2
SCHEMBL1761281 0.82 SLC6A9 (0.72) SLC6A9MTNR1AMTNR1BSLC6A4PPARD
Hydrochloric Acid SCHEMBL7706179 0.81 MTNR1A (0.47) SLC6A9MTNR1AMTNR1BSLC6A4FFAR1
Org-25935 SCHEMBL7703430 0.81 SLC6A9 (1.00) SLC6A9MTNR1AMTNR1BPPARD
Org-25935 SCHEMBL1761267 0.81 SLC6A9 (1.00) SLC6A9MTNR1AMTNR1BPPARD

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
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed