SCHEMBL9700299

SCHEMBL9700299

Cc1cc(C)c2cc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.43
AGTR2 P50052 5/20 0.43
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9700403 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9702671 0.88 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9702246 0.85 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9701434 0.84 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8972015 0.84 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9701125 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9702308 0.81 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9699488 0.79 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8566867 0.77 AGTR2 (0.54) AGTR1AGTR2
L-158809 SCHEMBL683357 0.77 AGTR2 (0.71) 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