SCHEMBL8906180

SCHEMBL8906180

CCCCc1nc2ccc(C(=O)C(C)CC(=O)O)cc2n1-c1ccc(-c2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.39
AGTR2 P50052 8/20 0.39
PPARG P37231 2/20 0.36

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
SCHEMBL8906631 0.86 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL8906183 0.84 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL8906787 0.82 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL8906799 0.81 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8906713 0.80 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL8906972 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8905662 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8907060 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8905963 0.78 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL8906575 0.77 AGTR2 (0.41) AGTR1AGTR2PPARG

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
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed