SCHEMBL7306230

SCHEMBL7306230

CCCCc1nc2c(C)cc(NC(=O)C(C)(C)C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.75
AGTR2 P50052 8/20 0.74
PPARG P37231 1/20 0.61

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
SCHEMBL8847837 0.91 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL8848339 0.90 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL682584 0.89 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL7306236 0.88 AGTR1 (0.59) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8847554 0.88 AGTR1 (0.82) AGTR1AGTR2PPARG
SCHEMBL8394649 0.87 AGTR1 (0.72) AGTR1AGTR2PPARG
SCHEMBL7303480 0.85 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL683384 0.85 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8847432 0.84 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL683735 0.84 AGTR1 (0.79) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed