SCHEMBL9045527

SCHEMBL9045527

CCCCc1nc2ccc(NC(=O)CCC)cc2n1Cc1ccc(-c2ccccc2OC(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52

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
SCHEMBL9041265 0.95 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9044929 0.94
SCHEMBL9040176 0.92 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9039700 0.92 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9042290 0.92 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9043201 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9041552 0.90 AGTR2 (0.54) AGTR1AGTR2
SCHEMBL8395353 0.89 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9039308 0.89 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9039577 0.89 EDNRA (0.54) 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 1 patent. 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