SCHEMBL3976085

SCHEMBL3976085

CC(C)(NCCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.58
PARP10 Q53GL7 1/20 0.58
MAOA P21397 2/20 0.57
SCN9A Q15858 1/20 0.57
GRM5 P41594 1/20 0.53
NR4A2 P43354 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 0.89 MAOB (0.65) MAOBPARP10MAOASCN9AGRM5
SCHEMBL3970471 0.87 MAOB (0.56) MAOBMAOA
SCHEMBL3967655 0.87 FFAR1 (0.59) MAOBPARP10MAOA
SCHEMBL965290 0.81 MAOB (0.62) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL964301 0.80 MAOB (0.80) MAOBPARP10MAOASCN9A
SCHEMBL8935241 0.79 MAOB (0.63) MAOBPARP10MAOASCN9AGRM5
SCHEMBL8434308 0.78 MAOB (0.64) MAOBPARP10MAOASCN9AGRM5
SCHEMBL1534882 0.77 MAOB (0.67) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL3971368 0.76 MAOB (0.58) MAOBPARP10MAOASCN9AGRM5
SCHEMBL4345300 0.76 MAOB (0.59) MAOBPARP10MAOASCN9AGRM5

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 5 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 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