SCHEMBL9702813

SCHEMBL9702813

CCCCc1cc2c(C)cc(C(=O)OCC)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.60
AGTR2 P50052 2/20 0.60
PPARG P37231 1/20 0.52

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
SCHEMBL9700431 0.95 PPARG (0.58) AGTR1AGTR2PPARG
SCHEMBL9701107 0.92 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL9702731 0.91 PPARG (0.48) AGTR1AGTR2PPARG
SCHEMBL9702305 0.89 PPARG (0.56) AGTR1AGTR2PPARG
SCHEMBL9701114 0.88 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL9701245 0.87 PPARG (0.63) AGTR1AGTR2PPARG
SCHEMBL9701285 0.83 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9728523 0.83 PPARG (0.52) AGTR1AGTR2PPARG
SCHEMBL9700312 0.83 AGTR1 (0.63) AGTR1AGTR2PPARG
SCHEMBL9700411 0.82 PPARG (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497516-A1 Substituted pyrrolo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1992-08-05 EP disclosed
US-5124335-A Hypotensive agents, antiglaucoma agents MERCK & CO., INC. (US) 1992-06-23 US disclosed