SCHEMBL7378367

SCHEMBL7378367

O=C1NCCC1NCCCc1ccc(OCc2cccc(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
PPARA Q07869 1/20 0.48
MAOB P27338 12/20 0.43
MAOA P21397 9/20 0.43
KDM1A O60341 1/20 0.43
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
PARP14 Q460N5 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL7371960 0.94 FFAR1 (0.50) FFAR1FFAR4PPARAMAOBMAOA
SCHEMBL7369856 0.88 FFAR1 (0.51) FFAR1FFAR4PPARAMAOBMAOA
SCHEMBL7369862 0.88 FFAR1 (0.51) FFAR1FFAR4PPARAMAOBMAOA
SCHEMBL7370536 0.82 MAOB (0.51) MAOBMAOAPARP10
SCHEMBL7370530 0.82 MAOB (0.51) MAOBMAOAPARP10
SCHEMBL7370303 0.82 MAOB (0.50) MAOBMAOA
SCHEMBL1347064 0.75 PPARA (0.42) FFAR1FFAR4PPARAMAOBMAOA
SCHEMBL1345209 0.75 MAOB (0.50) PPARAMAOBMAOA
SCHEMBL7377110 0.75 MAOB (0.50) MAOBMAOA
SCHEMBL1346559 0.75 MAOB (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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