SCHEMBL6694045

SCHEMBL6694045

COc1cccc(COc2ccc(CNC(CC(N)=O)c3ccc(O)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
MAOB P27338 5/20 0.51
MAOA P21397 1/20 0.50
SCN9A Q15858 1/20 0.50

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
SCHEMBL6688875 0.89 MTNR1A (0.52) FFAR1
SCHEMBL6690341 0.82 MAOB (0.54) MAOBMAOASCN9A
SCHEMBL6690337 0.82 MAOB (0.54) MAOBMAOASCN9A
SCHEMBL1070366 0.80 MAOB (0.76) MAOBMAOASCN9A
SCHEMBL6703960 0.78 MAOB (0.54) FFAR1MAOB
SCHEMBL6687957 0.76 MAOB (0.56) MAOBMAOASCN9A
SCHEMBL6687960 0.76 MAOB (0.56) MAOBMAOASCN9A
SCHEMBL6694094 0.76 PTPRZ1 (0.52) MAOBMAOASCN9A
SCHEMBL5271341 0.76 BCHE (0.64) MAOB
SCHEMBL9516247 0.73 MAOB (0.52) FFAR1MAOBMAOASCN9A

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
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed