SCHEMBL4016898

SCHEMBL4016898

CCCc1nc(=O)c(Oc2cccc(CC)c2)c(CC)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.54
ACHE P22303 1/20 0.39
AGTR1 P30556 2/20 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
SCHEMBL4007590 0.93 PPARG (0.53) PPARGACHEAGTR1
SCHEMBL4012577 0.92 PPARG (0.57) PPARGACHEAGTR1
SCHEMBL4009893 0.88 PPARG (0.51) PPARGAGTR1
SCHEMBL12349127 0.88 PPARG (0.54) PPARGAGTR1
SCHEMBL4013600 0.86 PPARG (0.49) PPARGACHEAGTR1
SCHEMBL4016260 0.84 PPARG (0.52) PPARGACHEAGTR1
SCHEMBL4306420 0.84 PPARG (0.52) PPARGACHEAGTR1
SCHEMBL4016128 0.84 PPARG (0.60) PPARGACHEAGTR1
SCHEMBL4011616 0.83 PPARG (0.51) PPARGACHEAGTR1
SCHEMBL4012893 0.83 PPARG (0.51) 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