SCHEMBL7301703

SCHEMBL7301703

CCCCc1nc2ccc(-c3cn4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.54
AGTR2 P50052 2/20 0.54
PPARG P37231 9/20 0.53

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
SCHEMBL7310465 0.95 PPARG (0.56) PPARG
SCHEMBL7301055 0.92 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL7302131 0.91 PPARG (0.55) AGTR1AGTR2PPARG
SCHEMBL7311126 0.91 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7301796 0.89 PPARG (0.56) PPARG
SCHEMBL7301700 0.89 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL7308242 0.89 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL7310287 0.86 PPARG (0.51) PPARG
SCHEMBL9042283 0.85 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL8847810 0.85 AGTR1 (0.55) 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