SCHEMBL5038560

SCHEMBL5038560

CCNC(=O)CCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
MAOA P21397 3/20 0.58
GID4 Q8IVV7 1/20 0.57
ALOX5 P09917 1/20 0.57
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL30913196 0.85 ALDH1A1 (0.61)
SCHEMBL29282133 0.85 ALDH1A1 (0.61)
SCHEMBL9626424 0.84 MAOB (0.69) MAOBMAOAALOX5RXRARXRB
SCHEMBL8935322 0.80 GID4 (0.71) MAOBMAOAGID4ALOX5RXRA
SCHEMBL8935287 0.79 MAOB (0.64) MAOBMAOAALOX5RXRARXRB
SCHEMBL1746764 0.78 FFAR1 (0.61) MAOBMAOAALOX5RXRARXRB
SCHEMBL9628272 0.77 MAOB (0.60) MAOBMAOAGID4ALOX5RXRA
SCHEMBL8935243 0.77 GID4 (0.74) MAOBMAOAGID4ALOX5RXRA
SCHEMBL9628508 0.76 MAOB (0.71) MAOBMAOAALOX5RXRARXRB
SCHEMBL4417319 0.76 MAOB (0.73) MAOBMAOAALOX5RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523469-B1 CINNAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-08 EP claimed
EP-1523469-B1 CINNAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
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