SCHEMBL8789682

SCHEMBL8789682

CCCCc1nc2ccc(-c3nccn3C)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.53
AGTR2 P50052 2/20 0.53
PPARG P37231 7/20 0.51

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
SCHEMBL9698940 0.95 PPARG (0.55) AGTR1AGTR2PPARG
SCHEMBL8789854 0.92 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8789679 0.88 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL8789714 0.88 PPARG (0.51) PPARG
SCHEMBL8790700 0.87 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL9045899 0.87 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL9042283 0.87 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL9042244 0.85 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9042978 0.85 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL8788366 0.85 PPARG (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed