SCHEMBL3969644

SCHEMBL3969644

CC(C)(NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
MAOA P21397 3/20 0.57
GID4 Q8IVV7 1/20 0.56
ALOX5 P09917 1/20 0.56
PKM P14618 1/20 0.56
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49

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
SCHEMBL3970471 0.89 MAOB (0.56) MAOBMAOAGID4ALOX5PKM
SCHEMBL3971405 0.87 NPC1 (0.56) MAOBMAOA
SCHEMBL1067948 0.86 MAOB (0.65) MAOBMAOA
SCHEMBL3967573 0.86 PARP15 (0.60) MAOBMAOA
SCHEMBL8935328 0.81 PKM (0.61) MAOBMAOAALOX5PKMRXRA
SCHEMBL5681627 0.80 GID4 (0.52) MAOBMAOAGID4ALOX5PKM
SCHEMBL962597 0.80 GID4 (0.73) MAOBMAOAGID4ALOX5RXRA
SCHEMBL3064569 0.79 MAOB (0.58) MAOBMAOA
SCHEMBL964395 0.79 MAOB (0.76) MAOBMAOA
SCHEMBL2018555 0.79 MAOB (0.76) MAOBMAOA

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