SCHEMBL9702318

SCHEMBL9702318

CCc1cc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
AGTR1 P30556 1/20 0.52
AGTR2 P50052 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
SCHEMBL9702760 0.92 PPARG (0.64) PPARGAGTR1AGTR2
SCHEMBL9728523 0.91 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL9701114 0.91 AGTR1 (0.66) PPARGAGTR1AGTR2
SCHEMBL9702731 0.87 PPARG (0.48) PPARGAGTR1AGTR2
SCHEMBL9700315 0.86 AGTR1 (0.58) PPARGAGTR1AGTR2
SCHEMBL9702328 0.85 PPARG (0.63) PPARGAGTR1AGTR2
SCHEMBL9700411 0.84 PPARG (0.64) PPARGAGTR1AGTR2
SCHEMBL9699488 0.83 AGTR1 (0.58) PPARGAGTR1AGTR2
SCHEMBL9701245 0.83 PPARG (0.63) PPARGAGTR1AGTR2
SCHEMBL683347 0.82 AGTR1 (0.67) AGTR1AGTR2

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