SCHEMBL4167619

SCHEMBL4167619

CCCCc1nc(C)n(CC(=O)c2ccc(OC)cc2)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.49
PPARG P37231 9/20 0.48

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
SCHEMBL1895787 0.92 PPARG (0.55) AGTR1PPARG
SCHEMBL12348578 0.86 PPARG (0.56) AGTR1PPARG
SCHEMBL4317672 0.86 PPARG (0.45) PPARG
SCHEMBL4016512 0.85 PPARG (0.48) AGTR1PPARG
SCHEMBL4453433 0.82 PPARG (0.51) AGTR1PPARG
SCHEMBL1892523 0.82 PPARG (0.61) AGTR1PPARG
SCHEMBL1885923 0.82 PPARG (0.55) AGTR1PPARG
SCHEMBL1890385 0.82 PPARG (0.60) AGTR1PPARG
Bromide SCHEMBL1884955 0.82 PPARG (0.60) AGTR1PPARG
Hydrochloric Acid SCHEMBL1891442 0.82 PPARG (0.60) AGTR1PPARG

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