SCHEMBL9700459

SCHEMBL9700459

CCCc1cc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)NC(C(=O)OCC)N=C2C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
AGTR2 P50052 3/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL9702239 0.94 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9701178 0.91 PPARG (0.41) AGTR1AGTR2PPARG
SCHEMBL9702566 0.87 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9701468 0.87 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9702662 0.85 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9700483 0.85 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9702728 0.85 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9701486 0.83 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9700288 0.79 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9700455 0.79 AGTR1 (0.41) 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