SCHEMBL9701477

SCHEMBL9701477

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL9702279 0.93 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9702654 0.89 AGTR1 (0.36) PPARGAGTR1AGTR2
SCHEMBL9702723 0.87 PPARG (0.35) PPARG
SCHEMBL9701175 0.86 PPARG (0.43) PPARGAGTR1AGTR2
SCHEMBL9700455 0.83 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9701145 0.83 PPARG (0.36) PPARGAGTR1AGTR2
SCHEMBL9700281 0.83 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9701314 0.82 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9701462 0.82 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9700476 0.80 AGTR1 (0.39) PPARGAGTR1AGTR2

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