SCHEMBL9040467

SCHEMBL9040467

CCCCCN(C(=O)NC)c1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4OC(=O)NS(=O)(=O)C(F)(F)F)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.54
AGTR2 P50052 3/20 0.54
EDNRA P25101 3/20 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
SCHEMBL9041953 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9040050 0.92 AGTR1 (0.56) AGTR1AGTR2EDNRA
SCHEMBL9039752 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9043195 0.90 AGTR2 (0.56) AGTR1AGTR2EDNRA
SCHEMBL8395892 0.90 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9043880 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9043038 0.88 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9042232 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9041724 0.86 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9039577 0.86 EDNRA (0.54) AGTR1AGTR2EDNRA

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