SCHEMBL4012675

SCHEMBL4012675

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
ALOX5AP P20292 1/20 0.40
ACHE P22303 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
AGTR1 P30556 2/20 0.38
AGTR2 P50052 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38

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) PPARGALOX5APACHEFFAR1AKR1B1
SCHEMBL4016070 0.89 PPARG (0.57) PPARGACHEAGTR1AGTR2GRIA2
SCHEMBL1891285 0.88 PPARG (0.54) PPARGALOX5APACHEFFAR1AKR1B1
SCHEMBL4016615 0.87 PPARG (0.54) PPARGACHEAGTR1AGTR2GRIA2
SCHEMBL4012581 0.86 PPARG (0.59) PPARGACHEAGTR1AGTR2GRIA2
SCHEMBL4313411 0.86 PPARG (0.59) PPARGACHEAGTR1AGTR2GRIA2
SCHEMBL4019464 0.83 PPARG (0.54) PPARGACHEAGTR1AGTR2
SCHEMBL4012714 0.81 PPARG (0.51) PPARGACHEAGTR1AGTR2
SCHEMBL4012577 0.81 PPARG (0.57) PPARGACHEAGTR1AGTR2
SCHEMBL4010668 0.80 PPARG (0.63) 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 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