SCHEMBL4014414

SCHEMBL4014414

CCCCc1nc(C)n(-c2ccccc2C)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.47
SLC33A1 O00400 3/20 0.43
AGTR1 P30556 1/20 0.43

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
SCHEMBL4009827 0.91 PPARG (0.54) PPARGSLC33A1AGTR1
SCHEMBL4317672 0.86 PPARG (0.45) PPARGSLC33A1
SCHEMBL2848426 0.84 PPARG (0.45) PPARGSLC33A1AGTR1
SCHEMBL1892638 0.83 PPARG (0.57) PPARGSLC33A1AGTR1
SCHEMBL4017161 0.82 PPARG (0.52) PPARGAGTR1
SCHEMBL2837922 0.81 PPARG (0.49) PPARGSLC33A1AGTR1
SCHEMBL1889124 0.81 PPARG (0.55) PPARGSLC33A1
SCHEMBL1890997 0.81 PPARG (0.54) PPARGSLC33A1AGTR1
SCHEMBL4016512 0.81 PPARG (0.48) PPARGSLC33A1AGTR1
SCHEMBL1897552 0.81 PPARG (0.53) PPARGSLC33A1AGTR1

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