SCHEMBL6694094

SCHEMBL6694094

NC(=O)CC(NCc1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.52
MAOB P27338 3/20 0.39
SCN9A Q15858 2/20 0.39
MAOA P21397 1/20 0.39
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPN7 P35236 1/20 0.38

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
SCHEMBL6690710 0.92 PTPRZ1 (0.52) PTPRZ1MAOBSCN9AMAOA
SCHEMBL6703960 0.87 MAOB (0.54) MAOB
SCHEMBL6692779 0.84 BCHE (0.42)
SCHEMBL6698255 0.82 PTPRZ1 (0.54) PTPRZ1MAOBSCN9AMAOA
SCHEMBL6698258 0.82 PTPRZ1 (0.54) PTPRZ1MAOBSCN9AMAOA
SCHEMBL6685873 0.79 MAOB (0.61) PTPRZ1MAOBSCN9AMAOA
SCHEMBL6685877 0.79 MAOB (0.61) PTPRZ1MAOBSCN9AMAOA
SCHEMBL6694045 0.76 FFAR1 (0.52) MAOBSCN9AMAOA
SCHEMBL6691341 0.75 PTPRZ1 (0.53) PTPRZ1MAOBSCN9AMAOA
SCHEMBL30745904 0.73 PTPRZ1 (0.72) PTPRZ1MAOBPTPN1PTPN2PTPN7

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