SCHEMBL9129586

SCHEMBL9129586

C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(=O)N(C)C

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.76
MAOA P21397 3/20 0.76
SCN9A Q15858 1/20 0.76
GRM5 P41594 1/20 0.53
PPARA Q07869 1/20 0.53

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
SCHEMBL963148 1.00 MAOB (0.76) MAOBMAOASCN9AGRM5PPARA
SCHEMBL964081 0.91 MAOB (0.63) MAOBMAOASCN9A
SCHEMBL14329886 0.87 MAOB (0.81) MAOBMAOASCN9AGRM5PPARA
SCHEMBL2933427 0.87 MAOB (0.81) MAOBMAOASCN9APPARA
SCHEMBL2933423 0.87 MAOB (0.81) MAOBMAOASCN9APPARA
SCHEMBL7395880 0.87 MAOB (0.64) MAOBMAOASCN9AGRM5PPARA
SCHEMBL8935295 0.87 MAOB (0.64) MAOBMAOASCN9AGRM5PPARA
SCHEMBL8935307 0.87 ALOX5 (0.60) MAOBMAOASCN9A
Safinamide SCHEMBL69350 0.86 MAOB (1.00) MAOBMAOASCN9A
Safinamide SCHEMBL194169 0.86 MAOB (1.00) MAOBMAOASCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed