SCHEMBL3945867

SCHEMBL3945867

N#CCC(=O)CCc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.42
FFAR4 Q5NUL3 10/20 0.42
TSPO P30536 1/20 0.41
DRD3 P35462 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAOB P27338 1/20 0.40
DAO P14920 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
KCNH2 Q12809 2/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL3576683 0.85 MAOB (0.47) FFAR1FFAR4CES2CES1MAOB
SCHEMBL15448623 0.84 MAPK8 (0.44) CES2CES1MAOBHTR2AHTR2C
SCHEMBL3940845 0.77 FFAR1 (0.51) FFAR1FFAR4MAOB
SCHEMBL30637597 0.76 FFAR1 (0.59) FFAR1FFAR4TSPODRD3MAOB
SCHEMBL2397247 0.76 FFAR1 (0.59) FFAR1FFAR4TSPODRD3MAOB
SCHEMBL3946037 0.75 TAAR1 (0.46) FFAR1CES2CES1DAO
SCHEMBL4715871 0.75 MAOB (0.45) FFAR1FFAR4CES2CES1MAOB
SCHEMBL30488619 0.75 MAOB (0.53) FFAR1FFAR4CES2CES1MAOB
SCHEMBL21222818 0.75 MAOB (0.53) FFAR1FFAR4CES2CES1MAOB
SCHEMBL9160970 0.75 MPO (0.56) FFAR1FFAR4CES2CES1MAOB

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
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed