SCHEMBL4540261

SCHEMBL4540261

CC(=O)NCc1ccc(-n2cccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.45
CNR2 P34972 1/20 0.44
MAPK14 Q16539 3/20 0.41
CYP3A4 P08684 1/20 0.40
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4543780 0.92 CNR2 (0.47) LIPGCNR2MAPK14CYP3A4LMNA
SCHEMBL4536942 0.90 LIPG (0.43) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4540508 0.90 CNR2 (0.44) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL13707575 0.90 LIPG (0.42) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4544135 0.89 LIPG (0.43) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4542152 0.88 CNR2 (0.44) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4543796 0.88 LIPG (0.43) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4542552 0.87 PTGER4 (0.49) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4538964 0.87 LIPG (0.43) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4542684 0.87 LIPG (0.43) LIPGCNR2MAPK14CYP3A4EPHX2

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed