SCHEMBL8944870

SCHEMBL8944870

CCCCc1nc2cc(NCC(=O)CC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.71
AGTR2 P50052 1/20 0.71

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
SCHEMBL8944413 0.94 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL8944550 0.89 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8396311 0.89 AGTR1 (0.56) AGTR1AGTR2
Water SCHEMBL8391770 0.87 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL8394074 0.87 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL8392619 0.87 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL8392912 0.87 AGTR1 (0.83) AGTR1AGTR2
SCHEMBL8393762 0.87 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL8395215 0.87 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL8395986 0.86 AGTR1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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