SCHEMBL9032389

SCHEMBL9032389

CCCCc1nn(CCO)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 15/20 0.64
▸ AGTR2 P50052 15/20 0.64

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
SCHEMBL7398914 0.94 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL7827242 0.94 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL7398978 0.94 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL7828850 0.93 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL7398754 0.93 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL7828364 0.93 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9143472 0.93 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL7818840 0.92 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL7830101 0.92 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL7819227 0.92 AGTR1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412594-B1 Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO INC (US) 1996-01-03 — — EP disclosed
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