SCHEMBL3971405

SCHEMBL3971405

CC(C)(NCc1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAOB P27338 6/20 0.55
MAOA P21397 2/20 0.55
NR4A2 P43354 1/20 0.52
PPARA Q07869 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL919807 0.88 CYP2C19 (0.47) NPC1RAB9APPARA
SCHEMBL3064569 0.87 MAOB (0.58) MAOBMAOANR4A2PPARA
SCHEMBL3969644 0.87 MAOB (0.57) MAOBMAOA
SCHEMBL19227135 0.83 CYP2C19 (0.51) NPC1RAB9APPARA
SCHEMBL4425860 0.80 MAOB (0.58) MAOBMAOANR4A2PPARA
SCHEMBL12173763 0.79 OPRM1 (0.46)
SCHEMBL1067948 0.79 MAOB (0.65) MAOBMAOANR4A2PPARA
SCHEMBL3967573 0.79 PARP15 (0.60) NPC1RAB9AMAOBMAOA
SCHEMBL8626757 0.79 OPRM1 (0.48)
SCHEMBL28510234 0.78 MAOB (0.57) NPC1RAB9AMAOBMAOANR4A2

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 10 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-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP claimed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO 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