SCHEMBL4010316

SCHEMBL4010316

CCOc1nc(=O)c(Br)c(C)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
AGTR1 P30556 1/20 0.42
ACHE P22303 1/20 0.41
DPP4 P27487 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALOX5AP P20292 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CNR2 P34972 1/20 0.38
GRM5 P41594 1/20 0.38
PDE5A O76074 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
SCHEMBL1892529 0.86 PPARG (0.48) PPARGAGTR1ACHEDPP4GRIN1
SCHEMBL4010946 0.82 PPARG (0.56) PPARGAGTR1ACHE
SCHEMBL4013553 0.82 PPARG (0.49) PPARGACHEDPP4GRIN1GRIN2B
SCHEMBL1887400 0.82 PPARG (0.51) PPARGAGTR1ACHEDPP4GRIN1
SCHEMBL1890010 0.80 PPARG (0.48) PPARGACHEDPP4GRIN1GRIN2B
SCHEMBL30289434 0.78 PPARG (0.70) PPARGAGTR1ALOX5APCNR2
SCHEMBL4013349 0.77 PPARG (0.41) PPARGACHEDPP4GRIN1GRIN2B
SCHEMBL4010668 0.75 PPARG (0.63) PPARGAGTR1ACHE
SCHEMBL1895341 0.75 PPARG (0.48) PPARGACHEDPP4GRIN1GRIN2B
SCHEMBL1886369 0.74 PPARG (0.64) PPARGAGTR1ACHE

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
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