SCHEMBL4715895

SCHEMBL4715895

O=C(O)CCc1c(F)cc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.59
FFAR4 Q5NUL3 3/20 0.59
GPR17 Q13304 7/20 0.57
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.41
KEAP1 Q14145 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL29009735 0.88 FFAR4 (0.47) FFAR1FFAR4GPR17NPSR1CNR1
SCHEMBL30428306 0.86 F13A1 (0.48) FFAR1FFAR4GPR17NPSR1
SCHEMBL28321275 0.85 FFAR1 (0.46) FFAR1FFAR4GPR17CNR1
SCHEMBL14793754 0.85 FFAR1 (0.57) FFAR1FFAR4GPR17NPSR1KEAP1
SCHEMBL29009903 0.84 F13A1 (0.52) FFAR1FFAR4GPR17
SCHEMBL31641818 0.83 TAAR1 (0.43) FFAR1FFAR4GPR17CNR1CES2
SCHEMBL4714251 0.81 CNR1 (0.43) FFAR1FFAR4GPR17CNR1CES2
SCHEMBL18606621 0.79 GPR17 (0.59) FFAR1FFAR4GPR17NPSR1KEAP1
SCHEMBL13064939 0.79 TAAR1 (0.59) FFAR1FFAR4GPR17TAAR1
SCHEMBL4714927 0.78 FFAR1 (0.59) FFAR1FFAR4GPR17KEAP1CES2

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
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed