SCHEMBL4538964

SCHEMBL4538964

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.43
LMNA P02545 2/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK14 Q16539 2/20 0.40
CYP3A4 P08684 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER2 P43116 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
SCHEMBL4543796 0.92 LIPG (0.43) LIPGLMNACNR2MAPK14CYP3A4
SCHEMBL4544135 0.87 LIPG (0.43) LIPGLMNACNR2MAPK14CYP3A4
SCHEMBL4540261 0.87 LIPG (0.45) LIPGLMNACNR2MAPK14CYP3A4
SCHEMBL4542684 0.86 LIPG (0.43) LIPGLMNACNR2MAPK14CYP3A4
SCHEMBL4542152 0.86 CNR2 (0.44) LIPGLMNACNR2MAPK14CYP3A4
SCHEMBL4540508 0.86 CNR2 (0.44) LIPGLMNACNR2MAPK14CYP3A4
SCHEMBL4543780 0.86 CNR2 (0.47) LIPGLMNACNR2MAPK14CYP3A4
SCHEMBL4542552 0.85 PTGER4 (0.49) LIPGCNR2MAPK14CYP3A4EPHX2
SCHEMBL4536942 0.84 LIPG (0.43) LIPGCNR2MAPK14CYP3A4PPARA
SCHEMBL4542968 0.84 MAPK14 (0.45) 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