SCHEMBL7369966

SCHEMBL7369966

O=C1NCCC[C@@H]1NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.48
MAOA P21397 3/20 0.48
KDM4E B2RXH2 1/20 0.47
SCN9A Q15858 1/20 0.47
PPARA Q07869 1/20 0.46
KCNH2 Q12809 2/20 0.46
SCN3A Q9NY46 2/20 0.46
NR4A2 P43354 1/20 0.45

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
SCHEMBL1346673 1.00 MAOB (0.48) MAOBMAOAKDM4ESCN9APPARA
SCHEMBL1346165 0.97 KDM4E (0.51) MAOBMAOAKDM4ESCN9APPARA
SCHEMBL7372317 0.97 KDM4E (0.51) MAOBMAOAKDM4ESCN9APPARA
SCHEMBL1346598 0.94 MAOB (0.50) MAOBMAOASCN9APPARAKCNH2
SCHEMBL1345209 0.94 MAOB (0.50) MAOBMAOASCN9APPARAKCNH2
SCHEMBL1346835 0.88 ALDH1A1 (0.44) MAOBKDM4EKCNH2NR4A2
SCHEMBL7379100 0.87 MAOB (0.52) MAOBMAOASCN9APPARANR4A2
SCHEMBL7376860 0.87 MAOB (0.52) MAOBMAOASCN9APPARANR4A2
SCHEMBL1346755 0.87 HTR2C (0.55) KDM4E
SCHEMBL1344438 0.85 PSEN1 (0.46) KDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842152-B1 N-(4-SUBSTITUTED-BENZYL)-2-AMINOLACTAM DERIVATIVES NEWRON PHARM SPA (IT) 2001-01-31 EP disclosed
EP-0842152-A1 N-(4-SUBSTITUTED-BENZYL)-2-AMINOLACTAM DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP disclosed
WO-1997005111-A1 N-(4-SUBSTITUTED-BENZYL)-2-AMINOLACTAM DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO disclosed