SCHEMBL9040924

SCHEMBL9040924

CCCCCCNC(=O)Nc1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4OC(=O)OC(C)(C)C)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.56
AGTR2 P50052 1/20 0.56
PPARG P37231 2/20 0.49

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
SCHEMBL9039977 0.97 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9042570 0.92 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9042864 0.92 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9042529 0.92 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL9043713 0.91 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9041812 0.91 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9041584 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9042511 0.90 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9043274 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9042910 0.89 AGTR1 (0.55) 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 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