SCHEMBL8432196

SCHEMBL8432196

CC(CNCc1ccc(NCc2cccc(F)c2)cc1)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
SCN9A Q15858 1/20 0.48
PPARA Q07869 1/20 0.43
HIF1A Q16665 1/20 0.41
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
NTRK1 P04629 1/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NOS1 P29475 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL8755027 0.83 MAOB (0.68) FFAR1MAOBMAOASCN9A
Hydrochloric Acid SCHEMBL8755417 0.82 MAOB (0.67) FFAR1MAOBMAOASCN9A
Hydrochloric Acid SCHEMBL8755428 0.82 MAOB (0.67) FFAR1MAOBMAOASCN9A
SCHEMBL8431818 0.82 MAOB (0.72) MAOBMAOASCN9APPARA
SCHEMBL8755053 0.78 FFAR1 (0.59) FFAR1MAOBMAOASCN9APPARA
SCHEMBL8432192 0.76 FFAR1 (0.57) FFAR1MAOBMAOASCN9APPARA
SCHEMBL3970941 0.76 FFAR1 (0.57) FFAR1MAOBMAOASCN9APPARA
SCHEMBL8755044 0.76 FFAR1 (0.60) FFAR1MAOBMAOASCN9ACDC7
Hydrochloric Acid SCHEMBL27433224 0.75 FFAR1 (0.59) FFAR1MAOBMAOASCN9ACDC7
SCHEMBL6692696 0.75 FFAR1 (0.67) FFAR1MAOBHDAC4MEF2DNOS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed