SCHEMBL4010555

SCHEMBL4010555

CCCc1nc(=O)c(-c2ccc(OCC3CC3)nc2)c(C)n1Cc1ccc(-c2ccccc2C#N)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2B Q13224 6/20 0.38
PTGES O14684 3/20 0.37
MAPK14 Q16539 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 2/20 0.35
KDM1A O60341 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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 0.91 PPARG (0.39) PPARGGRIN1GRIN2BPTGESMAPK14
SCHEMBL4015819 0.81 PPARG (0.41) PPARGGRIN1GRIN2BMAPK14AGTR1
SCHEMBL4008828 0.81 AGTR1 (0.42) PPARGGRIN1GRIN2BAGTR1AGTR2
SCHEMBL4013812 0.81 PPARG (0.39) PPARGGRIN1GRIN2BAGTR1AGTR2
SCHEMBL4010582 0.80 PPARG (0.50) PPARGPTGESAGTR1AGTR2
SCHEMBL4011357 0.80 AGTR1 (0.40) PPARGGRIN1GRIN2BMAPK14AGTR1
SCHEMBL4011554 0.79 PPARG (0.46) PPARGGRIN1GRIN2BMAPK14AGTR1
SCHEMBL1889960 0.79 PPARG (0.40) PPARGGRIN1GRIN2BMAPK14AGTR1
SCHEMBL1890918 0.78 PPARG (0.51) PPARGAGTR1
SCHEMBL4011619 0.77 AGTR1 (0.42) PPARGAGTR1AGTR2

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