SCHEMBL9043259

SCHEMBL9043259

CCCCCCNC(=O)N(c1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4OC(=O)OC(C)(C)C)cc3)c2c1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
PPARG P37231 4/20 0.44

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
SCHEMBL9043579 0.97 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9043698 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9042434 0.92 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9040945 0.91 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8391720 0.91 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9041689 0.89 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9043316 0.89 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL8392150 0.88 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9042688 0.87 PPARG (0.47) AGTR1AGTR2PPARG
SCHEMBL8395534 0.86 AGTR1 (0.63) 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 2 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 disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed