SCHEMBL3971368

SCHEMBL3971368

CNC(=O)C(C)(C)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.58
MAOA P21397 2/20 0.58
SCN9A Q15858 1/20 0.58
GRM5 P41594 1/20 0.54
PPARA Q07869 1/20 0.54
NR4A2 P43354 1/20 0.54
PARP10 Q53GL7 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
SCHEMBL1067948 0.87 MAOB (0.65) MAOBMAOASCN9AGRM5PPARA
SCHEMBL4425163 0.85 MAOB (0.60) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL8935258 0.78 MAOB (0.54) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL3288764 0.77 MAOB (0.78) MAOBMAOASCN9APPARA
SCHEMBL1070381 0.77 MAOB (0.78) MAOBMAOASCN9APPARA
SCHEMBL4425043 0.77 MAOB (0.62) MAOBMAOASCN9AGRM5PPARA
SCHEMBL4428763 0.77 MAOB (0.65) MAOBMAOASCN9AGRM5PPARA
SCHEMBL3976085 0.76 MAOB (0.58) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL1534881 0.76 MAOB (0.63) MAOBMAOASCN9APPARANR4A2
SCHEMBL994279 0.76 MAOB (0.62) MAOBMAOASCN9AGRM5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842143-B3 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2009-02-18 EP claimed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP claimed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US claimed
EP-0842143-B3 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2009-02-18 EP disclosed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP disclosed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP disclosed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO disclosed