SCHEMBL9031785

SCHEMBL9031785

CCCCc1nn(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 8/20 0.54
▸ AGTR2 P50052 8/20 0.54

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
SCHEMBL9031747 0.91 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9033418 0.88 — —
SCHEMBL9143472 0.87 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9033077 0.86 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9031879 0.86 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9034096 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9032970 0.85 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL7833154 0.85 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL9032073 0.85 — —
SCHEMBL7398483 0.84 AGTR1 (0.72) 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 4 patents. 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
US-5411980-A Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 — — US disclosed
US-5250558-A Substituted triazolinones, triazolinethiones, and triazolinimines as neurotensin antagonists used to treat psychosis MERCK & CO., INC. (US) 1993-10-05 — — US disclosed
EP-0412594-A2 Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO. INC. (US) 1991-02-13 — — EP disclosed
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