Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28454605

CCCCNc1ccc(C(=O)OCC)c(N(CC)CC)c1.Cl

nearest known ligand 0.46

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
▸ SCN5A known ✓ Q14524 2/20 0.44
▸ MAOA known ✓ P21397 1/20 0.44
▸ DRD4 known ✓ P21917 1/20 0.44
▸ ACHE known ✓ P22303 1/20 0.44
▸ HRH2 known ✓ P25021 1/20 0.44
▸ HTR2A known ✓ P28223 1/20 0.44
▸ HTR2C known ✓ P28335 1/20 0.44
▸ HRH1 known ✓ P35367 1/20 0.44
▸ DRD3 known ✓ P35462 1/20 0.44
▸ SCN1A known ✓ P35498 1/20 0.44
▸ HTR2B known ✓ P41595 1/20 0.44
▸ SCN7A known ✓ Q01118 1/20 0.44
▸ SLC6A3 known ✓ Q01959 1/20 0.44
▸ KCNH2 known ✓ Q12809 1/20 0.44
▸ SCN9A known ✓ Q15858 1/20 0.44
▸ SCN2A known ✓ Q99250 1/20 0.44
▸ SIGMAR1 known ✓ Q99720 1/20 0.44
▸ SCN3A known ✓ Q9NY46 1/20 0.44
▸ SCN8A known ✓ Q9UQD0 1/20 0.44
▸ HRH3 known ✓ Q9Y5N1 1/20 0.44

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
SCHEMBL1224840 0.99 LMNA (0.45) LMNAKDM4ERAB9AGMNNBLM
Benzocaine SCHEMBL29147928 0.89 LMNA (0.49) LMNAKDM4ERAB9AGMNNBLM
Hydrochloric Acid SCHEMBL27585203 0.89 LMNA (0.50) LMNAKDM4ERAB9AGMNNBLM
SCHEMBL21808822 0.88 LMNA (0.49) LMNAKDM4ERAB9AGMNNBLM
SCHEMBL28122565 0.81 TP53 (0.44) KDM4ERAB9AMAOBTP53SMN1; SMN2
SCHEMBL9695770 0.81 GAA (0.44) KDM4ERAB9AMAPK1MAOBTP53
SCHEMBL11310309 0.78 PLK1 (0.48) LMNAKDM4ESCN5ACYP1A2MAOA
SCHEMBL11319758 0.78 PLK1 (0.48) LMNAKDM4ESCN5ACYP1A2MAOA
SCHEMBL11306884 0.78 PLK1 (0.48) LMNAKDM4ESCN5ACYP1A2MAOA
SCHEMBL11313614 0.78 PLK1 (0.48) LMNAKDM4ESCN5ACYP1A2MAOA

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-111601617-A Method for preventing or treating diseases related to EGFR inhibition 上海岸阔医药科技有限公司 2020-08-28 — — CN disclosed
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