SCHEMBL9144019

SCHEMBL9144019

CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.74
AGTR2 P50052 2/20 0.74

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
SCHEMBL9142943 0.92 AGTR1 (0.74) AGTR1
SCHEMBL9145114 0.90 AGTR1 (0.78) AGTR1AGTR2
SCHEMBL9374429 0.87 AGTR1 (0.65) AGTR1
SCHEMBL9377175 0.85 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL9142855 0.84 AGTR1 (0.87) AGTR1AGTR2
SCHEMBL12234367 0.84 AGTR1 (0.76) AGTR1
SCHEMBL9142491 0.83 AGTR1 (0.66) AGTR1
SCHEMBL9142041 0.82 AGTR1 (0.59) AGTR1
SCHEMBL9399051 0.82 AGTR1 (0.59) AGTR1
SCHEMBL9144279 0.82 AGTR1 (0.78) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5411980-A Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 US disclosed
EP-0586513-A1 ACIDIC ARALKYL TRIAZOLE DERIVATIVES ACTIVE AS ANGIOTENSIN II ANTAGONISTS MERCK & CO. INC. (US) 1994-03-16 EP disclosed
US-5281614-A Hypotensive agents, glaucoma or angiotensin antagonists MERCK & CO., INC. (US) 1994-01-25 US disclosed
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1993001177-A1 SUBSTITUTED TRIAZOLINONES MERCK & CO., INC. (US) 1993-01-21 WO disclosed
WO-1992020662-A1 ACIDIC ARALKYL TRIAZOLE DERIVATIVES ACTIVE AS ANGIOTENSIN II ANTAGONISTS MERCK & CO., INC. (US) 1992-11-26 WO disclosed