SCHEMBL8944672

SCHEMBL8944672

CCCCc1nc2ccc(NCc3ccccc3C(=O)OCC)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.63
AGTR2 P50052 3/20 0.63
PPARG P37231 3/20 0.60

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
SCHEMBL8396216 0.91 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL8394718 0.90 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8392737 0.88 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8395756 0.88 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL8944454 0.87 PPARG (0.62) AGTR1AGTR2PPARG
SCHEMBL8944413 0.87 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8396169 0.86 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL8789534 0.85 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL8393751 0.85 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8550498 0.85 AGTR1 (0.73) AGTR1AGTR2PPARG

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
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP claimed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP claimed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed