SCHEMBL4016070

SCHEMBL4016070

CCCc1nc(=O)c(-c2ccc(OC)cc2)c(CC)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.57
ACHE P22303 1/20 0.43
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL4011596 0.91 PPARG (0.55) PPARGACHEGRIA2GRIA4AGTR1
SCHEMBL4016615 0.91 PPARG (0.54) PPARGACHEGRIA2GRIA4AGTR1
SCHEMBL4012581 0.89 PPARG (0.59) PPARGACHEGRIA2GRIA4AGTR1
SCHEMBL4313411 0.89 PPARG (0.59) PPARGACHEGRIA2GRIA4AGTR1
SCHEMBL4012675 0.89 PPARG (0.53) PPARGACHEGRIA2GRIA4AGTR1
SCHEMBL1892312 0.87 PPARG (0.58) PPARGMAPTMAPK1NPSR1AGTR1
SCHEMBL4019464 0.85 PPARG (0.54) PPARGACHEAGTR1AGTR2
SCHEMBL4012577 0.84 PPARG (0.57) PPARGACHEAGTR1AGTR2
SCHEMBL4015645 0.84 PPARG (0.57) PPARGACHEMAPTMAPK1NPSR1
SCHEMBL4007590 0.84 PPARG (0.53) PPARGACHEAGTR1

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