SCHEMBL7309922

SCHEMBL7309922

CCCc1nc2c(Cl)cc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.59
AGTR2 P50052 10/20 0.59
PPARG P37231 3/20 0.48

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
SCHEMBL7305208 0.93 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL7309000 0.91 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL8847622 0.90 AGTR1 (0.72) AGTR1AGTR2PPARG
SCHEMBL7310164 0.89 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL7308633 0.87 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8847763 0.86 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL6567320 0.84 AGTR1 (0.82) AGTR1AGTR2
SCHEMBL7309865 0.83 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8848039 0.83 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL9041042 0.82 AGTR1 (0.59) AGTR1AGTR2PPARG

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