SCHEMBL6689649

SCHEMBL6689649

NC(=O)C(Cc1ccccc1)NCc1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
PTPRZ1 P23471 1/20 0.43
S1PR1 P21453 1/20 0.43
PRKX P51817 1/20 0.43
ACVR1 Q04771 1/20 0.43
S1PR5 Q9H228 1/20 0.43
PPARG P37231 1/20 0.42
GPR34 Q9UPC5 3/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL6687535 0.88 ITGA4 (0.44) MAOBMAOAPTPRZ1PPARG
SCHEMBL6691341 0.87 PTPRZ1 (0.53) MAOBMAOAPTPRZ1PPARGGPR34
SCHEMBL6696899 0.87 MAOB (0.52) MAOBMAOAPTPRZ1PTPN1
SCHEMBL6687567 0.81 PPARG (0.42) PTPRZ1PPARG
SCHEMBL6687562 0.81 PPARG (0.42) PTPRZ1PPARG
SCHEMBL6698258 0.80 PTPRZ1 (0.54) MAOBMAOAPTPRZ1PPARG
SCHEMBL6698255 0.80 PTPRZ1 (0.54) MAOBMAOAPTPRZ1PPARG
SCHEMBL6685527 0.79 FFAR4 (0.48) PPARG
SCHEMBL6685530 0.79 FFAR4 (0.48) PPARG
SCHEMBL6687186 0.76 MAOB (0.46) MAOBMAOAPTPRZ1S1PR1PRKX

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