SCHEMBL3969640

SCHEMBL3969640

CN(Cc1ccc(OCc2cccc(F)c2)cc1)C(C)(C)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.59
MAOA P21397 2/20 0.59
PARP10 Q53GL7 1/20 0.59
SCN9A Q15858 1/20 0.55
NR4A2 P43354 1/20 0.54
GRM5 P41594 1/20 0.52

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
SCHEMBL3967618 0.86 PARP15 (0.59) MAOBMAOAPARP10
SCHEMBL3970467 0.86 ALOX5 (0.61) MAOBMAOA
SCHEMBL8935241 0.80 MAOB (0.63) MAOBMAOAPARP10SCN9ANR4A2
SCHEMBL7396562 0.80 MAOB (0.71) MAOBMAOAPARP10SCN9ANR4A2
SCHEMBL9129876 0.80 MAOB (0.71) MAOBMAOAPARP10SCN9ANR4A2
SCHEMBL1067948 0.78 MAOB (0.65) MAOBMAOAPARP10SCN9ANR4A2
SCHEMBL8935251 0.76 MAOB (0.58) MAOBMAOAPARP10SCN9ANR4A2
SCHEMBL3976085 0.76 MAOB (0.58) MAOBMAOAPARP10SCN9ANR4A2
SCHEMBL1070268 0.76 MAOB (0.58) MAOBMAOAPARP10SCN9ANR4A2
SCHEMBL19236097 0.76 MAOB (0.63) MAOBMAOAPARP10SCN9ANR4A2

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