SCHEMBL4011284

SCHEMBL4011284

CCCc1nc(CC)c(CC(C)CO)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.56
AGTR1 P30556 2/20 0.44

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
SCHEMBL1890164 0.83 PPARG (0.57) PPARGAGTR1
SCHEMBL1892480 0.83 PPARG (0.63) PPARGAGTR1
SCHEMBL4012749 0.83 AGTR1 (0.64) PPARGAGTR1
SCHEMBL1892413 0.82 PPARG (0.60) PPARGAGTR1
SCHEMBL12349095 0.82 PPARG (0.60) PPARGAGTR1
SCHEMBL4164574 0.82 PPARG (0.60) PPARGAGTR1
SCHEMBL1890906 0.81 PPARG (0.54) PPARGAGTR1
SCHEMBL1897573 0.81 PPARG (0.61) PPARGAGTR1
SCHEMBL4009720 0.81 PPARG (0.61) PPARGAGTR1
SCHEMBL4010303 0.80 PPARG (0.55) PPARGAGTR1

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