SCHEMBL9702654

SCHEMBL9702654

CCCc1cc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)NC(C)=NC2C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
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
SCHEMBL9701314 0.93 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9701477 0.89 PPARG (0.35) AGTR1AGTR2PPARG
SCHEMBL9702723 0.89 PPARG (0.35) PPARG
SCHEMBL9701175 0.88 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL9700455 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9701145 0.85 PPARG (0.36) AGTR1AGTR2PPARG
SCHEMBL9700281 0.85 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9701139 0.84 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9701462 0.84 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9700476 0.82 AGTR1 (0.39) 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