SCHEMBL7308694

SCHEMBL7308694

CCCc1nc2c(C)cc(NC(=O)N3CCCC3)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.63
AGTR2 P50052 11/20 0.63
PPARG P37231 1/20 0.50

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
SCHEMBL7304506 0.99 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL7305018 0.94 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL7311374 0.90 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL7312288 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7308690 0.89 AGTR1 (0.79) AGTR1AGTR2PPARG
SCHEMBL7304502 0.88 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL7309822 0.87 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL7305208 0.86 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL7309765 0.86 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL7308939 0.84 AGTR1 (0.62) 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