SCHEMBL9045229

SCHEMBL9045229

CCCCc1nc2ccc(C(=O)N(C)CCCC)cc2n1Cc1ccc(-c2ccccc2OC(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.48
AGTR2 P50052 3/20 0.48
EDNRA P25101 2/20 0.46

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
SCHEMBL9042622 0.92 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9043562 0.90 AGTR2 (0.53) AGTR1AGTR2
SCHEMBL9043880 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8394797 0.90 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9039577 0.88 EDNRA (0.54) AGTR1AGTR2EDNRA
SCHEMBL9040783 0.87 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9040972 0.86 EDNRA (0.56) AGTR1AGTR2EDNRA
SCHEMBL9044100 0.85 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9042459 0.85 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9044016 0.85 AGTR1 (0.49) 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