SCHEMBL8944606

SCHEMBL8944606

CCCCc1nc2ccc(N(CCCC)C(N)=O)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.69
AGTR2 P50052 2/20 0.69
PPARG P37231 6/20 0.66

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
SCHEMBL9042367 0.95 AGTR1 (0.65) AGTR1AGTR2PPARG
Water SCHEMBL8391981 0.95 AGTR1 (0.64) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8944675 0.93 PPARG (0.62) AGTR1AGTR2PPARG
SCHEMBL8393768 0.91 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL8396413 0.90 PPARG (0.70) AGTR1AGTR2PPARG
SCHEMBL8393227 0.89 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL8391179 0.88 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL8396243 0.88 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL8393486 0.86 PPARG (0.55) AGTR1AGTR2PPARG
SCHEMBL8394722 0.86 AGTR1 (0.67) 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 6 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 claimed
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