SCHEMBL13626006

SCHEMBL13626006

CCCc1nc(C)c(-c2ccc(OCC3CC3)nc2)c(=O)n1CC1=C(F)C=C(c2ccccc2C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
DPP4 P27487 1/20 0.32
ADORA2B P29275 2/20 0.32
APLNR P35414 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
ACHE P22303 1/20 0.31
PDE9A O76083 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PTGES O14684 3/20 0.31
MAT2A P31153 1/20 0.30

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
SCHEMBL1894764 0.84 PPARG (0.39) PPARGDPP4GPR84GRIN1GRIN2B
SCHEMBL4011154 0.77 PPARG (0.51) PPARGDPP4ACHE
SCHEMBL4010555 0.75 PPARG (0.38) PPARGGPR84GRIN1GRIN2BPTGES
SCHEMBL1891682 0.75 PPARG (0.54) PPARGACHE
SCHEMBL4010582 0.73 PPARG (0.50) PPARGACHEPTGES
SCHEMBL1890918 0.72 PPARG (0.51) PPARG
SCHEMBL12349236 0.72 AGTR1 (0.39) PPARGACHEPTGES
SCHEMBL1889960 0.72 PPARG (0.40) PPARGGRIN1GRIN2B
SCHEMBL1893847 0.72 PPARG (0.51) PPARG
Potassium SCHEMBL1893850 0.72 PPARG (0.51) PPARG

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
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed