SCHEMBL3970941

SCHEMBL3970941

CC(C)(NCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.57
PPARA Q07869 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
MAOB P27338 2/20 0.42
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAOA P21397 1/20 0.42
SCN9A Q15858 1/20 0.42
NTRK1 P04629 1/20 0.42
HDAC4 P56524 2/20 0.42
MEF2D Q14814 2/20 0.42
NOS1 P29475 1/20 0.42
RPS6KB1 P23443 3/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL27437681 0.83 FFAR1 (0.57) FFAR1PPARAFFAR4CDC7ROCK2
Hydrochloric Acid SCHEMBL27433226 0.82 FFAR1 (0.56) FFAR1PPARAFFAR4CDC7ROCK2
SCHEMBL1067948 0.81 MAOB (0.65) PPARAMAOBMAOASCN9A
Hydrochloric Acid SCHEMBL27437684 0.78 FFAR1 (0.52) FFAR1PPARAFFAR4CDC7ROCK2
SCHEMBL8755027 0.78 MAOB (0.68) FFAR1MAOBMAOASCN9A
SCHEMBL5684577 0.78 FFAR1 (0.49) FFAR1PPARAFFAR4MAOBMAOA
Hydrochloric Acid SCHEMBL8755428 0.77 MAOB (0.67) FFAR1MAOBMAOASCN9A
Hydrochloric Acid SCHEMBL8755417 0.77 MAOB (0.67) FFAR1MAOBMAOASCN9A
SCHEMBL6692696 0.77 FFAR1 (0.67) FFAR1MAOBHDAC4MEF2DNOS1
SCHEMBL8432196 0.76 FFAR1 (0.55) FFAR1PPARAMAOBCDC7ROCK2

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 13 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
CN-1085659-C 2- (4-substituted) -benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN SPA (IT) 2002-05-29 CN claimed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP claimed
CN-1192199-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN SPA (IT) 1998-09-02 CN 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
CN-1085659-C 2- (4-substituted) -benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN SPA (IT) 2002-05-29 CN 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
CN-1192199-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN SPA (IT) 1998-09-02 CN 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