SCHEMBL8431815

SCHEMBL8431815

CC(C)C(=O)NNCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.67
MAOA P21397 2/20 0.67
SCN9A Q15858 1/20 0.67
GRM5 P41594 1/20 0.56
PPARA Q07869 1/20 0.56
NR4A2 P43354 1/20 0.56
PARP10 Q53GL7 1/20 0.55

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
SCHEMBL8434311 0.88 MAOB (0.58) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL8432748 0.86 MAOB (0.56) MAOBMAOASCN9APPARANR4A2
SCHEMBL8431672 0.86 MAOB (0.58) MAOBMAOA
SCHEMBL8434262 0.86 MAOB (0.58) MAOBMAOASCN9APARP10
SCHEMBL8935244 0.82 MAOB (0.69) MAOBMAOASCN9AGRM5PPARA
SCHEMBL14323980 0.82 MAOB (0.69) MAOBMAOASCN9AGRM5PPARA
SCHEMBL8432192 0.82 FFAR1 (0.57) MAOBMAOASCN9APPARA
SCHEMBL3288764 0.81 MAOB (0.78) MAOBMAOASCN9APPARA
SCHEMBL1070381 0.81 MAOB (0.78) MAOBMAOASCN9APPARA
SCHEMBL14329886 0.81 MAOB (0.81) MAOBMAOASCN9AGRM5PPARA

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