SCHEMBL9626322

SCHEMBL9626322

CC(c1ccc(OCc2cccc(Cl)c2)cc1)N(C)C=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
MAOB P27338 8/20 0.54
MAOA P21397 3/20 0.53
FFAR1 O14842 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL9626307 0.86 MAOB (0.58) ALOX5MAOBMAOAFFAR1RXRA
SCHEMBL21234325 0.81 MAOB (0.67) ALOX5MAOBMAOAFFAR1RXRA
SCHEMBL9626523 0.79 MAOB (0.54) ALOX5MAOBMAOAFFAR1RXRA
SCHEMBL9626469 0.78 MAOB (0.66) ALOX5MAOBMAOAFFAR1RXRA
SCHEMBL9627722 0.76 MAOB (0.58) ALOX5MAOBMAOAFFAR1RXRA
SCHEMBL24616940 0.75 TRPM8 (0.44)
SCHEMBL9628030 0.75 MAOB (0.60) ALOX5MAOBMAOARXRARXRB
SCHEMBL3423658 0.74 MAOB (0.65) ALOX5MAOBMAOARXRARXRB
SCHEMBL28115794 0.74 MAOB (0.69) ALOX5MAOBMAOARXRARXRB
SCHEMBL30399352 0.74 MAOB (0.65) ALOX5MAOBMAOARXRARXRB

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
EP-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed