SCHEMBL9657140

SCHEMBL9657140

CCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2ncccc2-c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
AGTR2 P50052 2/20 0.48

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
SCHEMBL9658801 0.94 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9655634 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9702515 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9655706 0.86 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9657158 0.86 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL7385626 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7941438 0.83 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9655738 0.83 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL7380247 0.82 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL7381101 0.82 AGTR1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510813-A1 Angiotensin II antagonists incorporating a nitrogen containing six membered ring heterocycle MERCK & CO. INC. (US) 1992-10-28 EP claimed
EP-0510813-A1 Angiotensin II antagonists incorporating a nitrogen containing six membered ring heterocycle MERCK & CO. INC. (US) 1992-10-28 EP disclosed
US-5128327-A Hypotensive agents; congestive heart failure; antidepressants; anxiolytic agents; cognition activators MERCK & CO., INC. (US) 1992-07-07 US disclosed