SCHEMBL9657174

SCHEMBL9657174

Cc1cc(C(=O)O)cc2c1nc(C(C)C)n2Cc1ccc(-c2cnccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 0.40

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
SCHEMBL9703532 0.87 AGTR1 (0.52) AGTR1
SCHEMBL9655664 0.84 AGTR1 (0.54) AGTR1
SCHEMBL3640446 0.77 AGTR1 (0.62) AGTR1
SCHEMBL9657098 0.73 AGTR1 (0.43) AGTR1
SCHEMBL9657763 0.72 AGTR2 (0.47) AGTR1
SCHEMBL9657168 0.72 AGTR1 (0.45) AGTR1
SCHEMBL9655735 0.71 AGTR2 (0.57) AGTR1
SCHEMBL3636583 0.70 AGTR1 (0.59) AGTR1
SCHEMBL9872247 0.70 AGTR1 (0.37) AGTR1
Ammonia Solution, Strong SCHEMBL8971516 0.69 AGTR1 (0.51) AGTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128327-A Hypotensive agents; congestive heart failure; antidepressants; anxiolytic agents; cognition activators MERCK & CO., INC. (US) 1992-07-07 US disclosed