Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29440435

Cl.N[C@@H](CCC(F)F)c1cccc(OC(F)F)c1

nearest known ligand 0.39

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
▸ DRD1 known ✓ P21728 1/20 0.37
▸ KCNJ5 known ✓ P48544 1/20 0.36
▸ KCNJ3 known ✓ P48549 1/20 0.36
▸ GRIN1 known ✓ Q05586 2/20 0.34
▸ GRIN2B known ✓ Q13224 2/20 0.34
▸ SCN4A known ✓ P35499 2/20 0.34
▸ SLC6A4 known ✓ P31645 1/20 0.33
▸ KCNA5 known ✓ P22460 1/20 0.33
▸ KCNH2 known ✓ Q12809 1/20 0.33
▸ KCNB1 known ✓ Q14721 1/20 0.33
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ MEP1B Q16820 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ RXRA P19793 2/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33

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 SCHEMBL28719412 1.00 KMT2A (0.39) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
Hydrochloric Acid SCHEMBL28719410 1.00 KMT2A (0.39) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
SCHEMBL22952665 0.98 KMT2A (0.40) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
Hydrochloric Acid SCHEMBL29440455 0.86 KMT2A (0.38) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL28711055 0.86 KMT2A (0.38) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL28711056 0.86 KMT2A (0.38) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL28700399 0.86 KMT2A (0.40) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
Hydrochloric Acid SCHEMBL29440415 0.86 KMT2A (0.40) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
Hydrochloric Acid SCHEMBL28700400 0.86 KMT2A (0.40) KMT2ASMN1; SMN2DRD1TAS2R14KCNJ5
SCHEMBL22965294 0.84 KMT2A (0.39) KMT2ASMN1; SMN2DRD1KCNJ5KCNJ3

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
CN-114206830-B Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2024-07-30 — — CN disclosed
EP-4007634-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2022-06-08 — — EP disclosed
CN-114206830-A Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2022-03-18 — — CN disclosed
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