SCHEMBL6686474

SCHEMBL6686474

COc1cc(OCc2ccc(SC(F)(F)F)cc2)cc(OC)c1CN[C@@H](C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
SCN9A Q15858 2/20 0.47
MAOA P21397 2/20 0.47
PTPRZ1 P23471 1/20 0.45
CD274 Q9NZQ7 4/20 0.44
HRH3 Q9Y5N1 2/20 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
SCHEMBL6686473 1.00 MAOB (0.47) MAOBSCN9AMAOAPTPRZ1CD274
SCHEMBL6686893 0.89 PTPRZ1 (0.42) PTPRZ1CD274
SCHEMBL6686890 0.89 PTPRZ1 (0.42) PTPRZ1CD274
SCHEMBL6688970 0.89 MAOB (0.52) MAOBSCN9AMAOAPTPRZ1CD274
SCHEMBL6690781 0.89 MAOB (0.52) MAOBSCN9AMAOAPTPRZ1CD274
SCHEMBL6687562 0.85 PPARG (0.42) PTPRZ1CD274
SCHEMBL6687567 0.85 PPARG (0.42) PTPRZ1CD274
SCHEMBL6693067 0.85 MAOB (0.45) MAOBSCN9AMAOAPTPRZ1CD274
SCHEMBL6693062 0.85 MAOB (0.45) MAOBSCN9AMAOAPTPRZ1CD274
SCHEMBL6685873 0.84 MAOB (0.61) MAOBSCN9AMAOAPTPRZ1HRH3

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