SCHEMBL9701144

SCHEMBL9701144

CC1=NC(C)Nc2c1cc(C1CC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.36
AGTR2 P50052 7/20 0.36
PPARG P37231 1/20 0.32

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
SCHEMBL9701105 0.88 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9701320 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9701455 0.85 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9702566 0.85 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9702662 0.84 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9701139 0.82 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9701448 0.79 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9701101 0.77 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9700299 0.76 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9702671 0.76 AGTR1 (0.43) 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