Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11065038

C[N+]1(CC(O)COc2ccc3c(c2)NC(=O)CC3)CCC(c2ccccc2)CC1.[Cl-]

nearest known ligand 0.48

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 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.48
MAOA P21397 14/20 0.48
SLC18A3 Q16572 1/20 0.48
DRD2 P14416 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
AOC3 Q16853 1/20 0.40

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 SCHEMBL11073701 0.87 DRD2 (0.49) MAOBMAOADRD2
Hydrochloric Acid SCHEMBL11073533 0.85 DRD2 (0.44) MAOBMAOADRD2AOC3
Iodide SCHEMBL11071817 0.83 SLC18A3 (0.46) MAOBMAOASLC18A3TRPV1
Hydrochloric Acid SCHEMBL11070160 0.83 MAOB (0.57) MAOBMAOADRD2
Iodide SCHEMBL11071302 0.82 MAOB (0.48) MAOBMAOADRD2AOC3
Iodide SCHEMBL11067095 0.81 MAOB (0.57) MAOBMAOADRD2
SCHEMBL11073822 0.81 KCNH2 (0.54) MAOBMAOADRD2
Iodide SCHEMBL11067528 0.80 SLC18A3 (0.47) SLC18A3DRD2TRPV1
Iodide SCHEMBL11065747 0.79 ADRB1 (0.54) SLC18A3
Hydrochloric Acid SCHEMBL11070395 0.77 SLC18A3 (0.46) SLC18A3

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