SCHEMBL7309811

SCHEMBL7309811

CCCc1nc2c(C)cc(N(Cc3ccccc3)C(=O)NC)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.52
AGTR2 P50052 9/20 0.52
PPARG P37231 1/20 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
SCHEMBL7309808 0.89 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL7313068 0.86 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7299461 0.85 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9043310 0.84 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL7300812 0.83 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7303454 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7309822 0.82 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL7314732 0.81 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL7309757 0.79 PPARG (0.66) AGTR1AGTR2PPARG
SCHEMBL7310912 0.79 AGTR1 (0.59) 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-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed