Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11288146

CCCNC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CC)C1.Cl

nearest known ligand 0.63

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
▸ EDNRA known ✓ P25101 1/20 0.63
▸ PTGS1 known ✓ P23219 1/20 0.45
▸ TOP1 known ✓ P11387 1/20 0.43
▸ DRD3 known ✓ P35462 1/20 0.43
▸ DPP4 known ✓ P27487 3/20 0.43
▸ CHRM2 known ✓ P08172 1/20 0.43
▸ DRD1 known ✓ P21728 1/20 0.43
▸ FLT4 known ✓ P35916 1/20 0.42
▸ SLC6A3 known ✓ Q01959 1/20 0.42
▸ LMNA P02545 6/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ ATP6V1B2 P21281 1/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ TARBP2 Q15633 1/20 0.63
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 5/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ PMP22 Q01453 1/20 0.45

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
SCHEMBL11306974 0.99 LMNA (0.64) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11305425 0.92 LMNA (0.66) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL10658429 0.90 LMNA (0.66) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11289488 0.90 LMNA (0.63) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11165875 0.89 LMNA (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10656681 0.88 DPP4 (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11282440 0.88 LMNA (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11303244 0.87 LMNA (0.64) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9437288 0.86 LMNA (0.63) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Esafloxacin SCHEMBL1231132 0.85 LMNA (0.68) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341784-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1982-07-27 — — US disclosed
EP-0027752-A1 Naphthyridine derivatives, processes for their preparation and pharmaceutical compositions containing them Société anonyme dite: LABORATOIRE ROGER BELLON (FR) 1981-04-29 — — EP disclosed
Send feedback