SCHEMBL4542552

SCHEMBL4542552

O=C(O)c1ccc(-n2cccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.49
PTGER2 P43116 2/20 0.49
MAPK14 Q16539 5/20 0.48
CNR2 P34972 1/20 0.46
CYP3A4 P08684 1/20 0.44
LIPG Q9Y5X9 1/20 0.43
HPGD P15428 1/20 0.42
EPHX2 P34913 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
SCHEMBL4542968 0.92 MAPK14 (0.45) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4543780 0.90 CNR2 (0.47) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4540508 0.88 CNR2 (0.44) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4542152 0.88 CNR2 (0.44) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4540261 0.87 LIPG (0.45) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4543848 0.86 CNR2 (0.42) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4543796 0.86 LIPG (0.43) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4544135 0.86 LIPG (0.43) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4542684 0.85 LIPG (0.43) PTGER4PTGER2MAPK14CNR2CYP3A4
SCHEMBL4538964 0.85 LIPG (0.43) PTGER4PTGER2MAPK14CNR2CYP3A4

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