SCHEMBL4009893

SCHEMBL4009893

CCCc1nc(=O)c(Oc2ccc(OC)c(OC)c2)c(CC)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.51
AGTR1 P30556 5/20 0.40
AGTR2 P50052 2/20 0.40
APLNR P35414 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
SCHEMBL4007590 0.91 PPARG (0.53) PPARGAGTR1
SCHEMBL4012577 0.89 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL1892215 0.88 PPARG (0.52) PPARGAGTR1AGTR2APLNR
SCHEMBL4016898 0.88 PPARG (0.54) PPARGAGTR1
SCHEMBL4013600 0.85 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL4016260 0.83 PPARG (0.52) PPARGAGTR1
SCHEMBL4016070 0.83 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL4015645 0.83 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL4012893 0.82 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL4306420 0.82 PPARG (0.52) PPARGAGTR1AGTR2

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