Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28973080

Cl.Fc1cc(Cl)ccc1COc1nc(N2CCNCC2)ccc1F

nearest known ligand 0.50

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
▸ HTR3A known ✓ P46098 3/20 0.50
▸ HTR3E known ✓ A5X5Y0 2/20 0.50
▸ HTR3B known ✓ O95264 2/20 0.50
▸ HTR3D known ✓ Q70Z44 2/20 0.50
▸ HTR3C known ✓ Q8WXA8 2/20 0.50
▸ HTR2C known ✓ P28335 5/20 0.43
▸ HTR2A known ✓ P28223 3/20 0.43
▸ HTR2B known ✓ P41595 3/20 0.43
▸ HTR1A known ✓ P08908 3/20 0.43
▸ ADRB1 known ✓ P08588 2/20 0.43
▸ HTR7 known ✓ P34969 2/20 0.43
▸ CHRM4 known ✓ P08173 1/20 0.43
▸ CHRM5 known ✓ P08912 1/20 0.43
▸ CHRM1 known ✓ P11229 1/20 0.43
▸ CHRM3 known ✓ P20309 1/20 0.43
▸ HTR1D known ✓ P28221 1/20 0.43
▸ HTR1B known ✓ P28222 1/20 0.43
▸ HTR1E known ✓ P28566 1/20 0.43
▸ HRH1 known ✓ P35367 1/20 0.43
▸ DRD3 known ✓ P35462 1/20 0.43

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
SCHEMBL20288052 0.99 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
Trifluoroacetic Acid SCHEMBL30662711 0.90 GLP1R (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL28973098 0.85 INPPL1 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL20266519 0.85 GLP1R (0.48) MCHR1GLP1RPRKCQPRKCD
Hydrochloric Acid SCHEMBL20266516 0.85 GLP1R (0.48) MCHR1GLP1RPRKCQPRKCD
SCHEMBL24455369 0.84 GLP1R (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL22391929 0.84 HTR3A (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL25385019 0.84 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29687310 0.84 GLP1R (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL24147365 0.84 INPPL1 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C

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
CN-113831337-B GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2023-03-24 — — CN disclosed
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