SCHEMBL4454090

SCHEMBL4454090

CCCCc1nc(C)c(C2=CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.56
PPARG P37231 11/20 0.55

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
SCHEMBL1894576 0.92 AGTR1 (0.65) AGTR1PPARG
SCHEMBL2842919 0.82 PPARG (0.61) AGTR1PPARG
SCHEMBL13186115 0.78 PPARG (0.64) AGTR1PPARG
SCHEMBL1893155 0.77 PPARG (0.70) AGTR1PPARG
SCHEMBL1893217 0.77 AGTR1 (0.71) AGTR1PPARG
SCHEMBL1897342 0.77 PPARG (0.75) AGTR1PPARG
SCHEMBL1893077 0.77 PPARG (0.50) AGTR1PPARG
SCHEMBL12348475 0.76 PPARG (0.62) AGTR1PPARG
SCHEMBL1892115 0.76 PPARG (0.65) AGTR1PPARG
SCHEMBL1893363 0.75 PPARG (0.61) 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 1 patent. 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