SCHEMBL4017161

SCHEMBL4017161

CCCCc1nc(C)n(Cc2ccccc2Cl)c(=O)c1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.52
AGTR1 P30556 2/20 0.49

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
SCHEMBL4307047 0.92 PPARG (0.59) PPARGAGTR1
SCHEMBL1896424 0.85 PPARG (0.59) PPARGAGTR1
SCHEMBL1887923 0.85 PPARG (0.68) PPARGAGTR1
SCHEMBL4453433 0.85 PPARG (0.51) PPARGAGTR1
SCHEMBL1890914 0.84 PPARG (0.68) PPARGAGTR1
SCHEMBL1893684 0.84 PPARG (0.68) PPARGAGTR1
Hydrochloric Acid SCHEMBL1895058 0.84 PPARG (0.68) PPARGAGTR1
Bromide SCHEMBL1895257 0.84 PPARG (0.68) PPARGAGTR1
SCHEMBL1886970 0.84 PPARG (0.62) PPARGAGTR1
SCHEMBL12993751 0.84 PPARG (0.66) 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 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