SCHEMBL9042006

SCHEMBL9042006

CCCCc1nc2ccc(NC(=O)C3CCCCC3)cc2n1Cc1ccc(-c2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.59
AGTR1 P30556 2/20 0.59

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
SCHEMBL9040612 0.93 AGTR1 (0.60) AGTR2AGTR1
SCHEMBL9040646 0.91 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL9039308 0.90 AGTR1 (0.57) AGTR2AGTR1
SCHEMBL9044581 0.90 AGTR1 (0.66) AGTR2AGTR1
SCHEMBL9040383 0.89 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9042752 0.89 AGTR2 (0.58) AGTR2AGTR1
SCHEMBL9042939 0.89 AGTR1 (0.65) AGTR2AGTR1
SCHEMBL9041552 0.89 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9042139 0.89 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL9043962 0.88 AGTR2 (0.53) AGTR2AGTR1

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