SCHEMBL6685873

SCHEMBL6685873

CC(NCc1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
SCN9A Q15858 2/20 0.61
MAOA P21397 1/20 0.61
PTPRZ1 P23471 1/20 0.59
HRH3 Q9Y5N1 3/20 0.56
HRH1 P35367 1/20 0.49

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
SCHEMBL6685877 1.00 MAOB (0.61) MAOBSCN9AMAOAPTPRZ1HRH3
SCHEMBL6690781 0.85 MAOB (0.52) MAOBSCN9AMAOAPTPRZ1HRH3
SCHEMBL6688970 0.85 MAOB (0.52) MAOBSCN9AMAOAPTPRZ1HRH3
SCHEMBL6687173 0.85 MAOB (0.65) MAOBSCN9AMAOAHRH3
SCHEMBL6687176 0.85 MAOB (0.65) MAOBSCN9AMAOAHRH3
SCHEMBL6686474 0.84 MAOB (0.47) MAOBSCN9AMAOAPTPRZ1HRH3
SCHEMBL6686473 0.84 MAOB (0.47) MAOBSCN9AMAOAPTPRZ1HRH3
SCHEMBL6685864 0.84 MAOB (0.46) MAOBSCN9AMAOAPTPRZ1HRH3
SCHEMBL6685862 0.84 MAOB (0.46) MAOBSCN9AMAOAPTPRZ1HRH3
SCHEMBL23440991 0.83 MAOB (0.76) MAOBSCN9AMAOAHRH3

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