Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11066906

CC[N+]1(CCCOc2cccc3c2CCC(=O)N3Cc2ccccc2)CCC(c2ccccc2)CC1.[Cl-]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 14)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.36
CHRM1 known ✓ P11229 1/20 0.36
CHRM3 known ✓ P20309 1/20 0.36
HTR6 P50406 4/20 0.44
POLB P06746 1/20 0.38
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GSK3B P49841 1/20 0.34
SLC18A3 Q16572 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
SCHEMBL11070274 0.80 CHRM1 (0.55) HTR6CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL11070150 0.78 SLC18A3 (0.40) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL11071606 0.77 HTR6 (0.47) HTR6POLBCHRM2CHRM4CHRM5
Iodide SCHEMBL11060156 0.76 SLC18A3 (0.45) HTR6POLBSLC18A3
SCHEMBL11061136 0.72 KCNH2 (0.56) DRD2DRD4
SCHEMBL11062798 0.70 CHRM2 (0.60) HTR6CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL11250180 0.69 HTR6 (0.60) HTR6POLB
SCHEMBL11243620 0.69 HTR6 (0.49) HTR6POLBDRD4
Hydrochloric Acid SCHEMBL11238680 0.69 HTR6 (0.46) HTR6POLB
SCHEMBL10568199 0.69 SIGMAR1 (0.58) CHRM2CHRM4CHRM5CHRM1DRD2

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed