SCHEMBL4013349

SCHEMBL4013349

CCOc1nc(=O)c(-c2ccc3c(c2)CC(C)O3)c(C)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
TNIK Q9UKE5 1/20 0.38
GRM2 Q14416 1/20 0.38
ALOX5AP P20292 1/20 0.36
CNR2 P34972 1/20 0.35
ACHE P22303 1/20 0.35
GPR84 Q9NQS5 5/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL1886815 0.90 PPARG (0.42) PPARGTNIKGRM2ALOX5APCNR2
SCHEMBL4010039 0.81 PPARG (0.45) PPARGACHE
SCHEMBL4013210 0.79 PPARG (0.43) PPARGACHE
SCHEMBL2879858 0.78 PPARG (0.45) PPARGACHE
SCHEMBL4013553 0.78 PPARG (0.49) PPARGALOX5APACHEGRIN1GRIN2B
SCHEMBL1886738 0.77 PPARG (0.46) PPARGACHE
SCHEMBL4010316 0.77 PPARG (0.48) PPARGALOX5APCNR2ACHEGRIN1
SCHEMBL1890872 0.76 PPARG (0.48) PPARG
SCHEMBL1887400 0.73 PPARG (0.51) PPARGALOX5APACHEGRIN1GRIN2B
SCHEMBL4013058 0.73 PPARG (0.46) PPARGTNIKACHE

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 3 patents. 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
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed