SCHEMBL4542152

SCHEMBL4542152

Nc1ccc(-n2cccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
LIPG Q9Y5X9 2/20 0.43
MAPK14 Q16539 3/20 0.42
CYP3A4 P08684 1/20 0.41
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
EPHX2 P34913 2/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL4540508 0.91 CNR2 (0.44) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4543780 0.91 CNR2 (0.47) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4542968 0.89 MAPK14 (0.45) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4540261 0.88 LIPG (0.45) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4542552 0.88 PTGER4 (0.49) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4543796 0.86 LIPG (0.43) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4543848 0.86 CNR2 (0.42) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4544135 0.86 LIPG (0.43) CNR2LIPGMAPK14CYP3A4PTGER4
SCHEMBL4539900 0.86 ALDH1A1 (0.43) CNR2LIPGMAPK14CYP3A4LMNA
SCHEMBL4542684 0.86 LIPG (0.43) CNR2LIPGMAPK14CYP3A4PTGER4

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