SCHEMBL7307392

SCHEMBL7307392

CCCc1nc2ccc(-c3ccc4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.59
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52

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
SCHEMBL7310560 0.95 AGTR1 (0.59) PPARGAGTR1AGTR2
SCHEMBL7311537 0.89 AGTR1 (0.60) PPARGAGTR1AGTR2
SCHEMBL7307386 0.88 PPARG (0.76) PPARGAGTR1AGTR2
SCHEMBL7309147 0.88 PPARG (0.60) PPARG
SCHEMBL9041506 0.87 PPARG (0.73) PPARGAGTR1AGTR2
SCHEMBL8790051 0.86 PPARG (0.57) PPARGAGTR1
SCHEMBL9042831 0.86 PPARG (0.74) PPARG
SCHEMBL8788417 0.85 PPARG (0.64) PPARGAGTR1AGTR2
SCHEMBL7310465 0.84 PPARG (0.56) PPARG
SCHEMBL8788054 0.84 PPARG (0.55) PPARG

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