SCHEMBL9043294

SCHEMBL9043294

CCCCc1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.62
AGTR2 P50052 1/20 0.62
PPARG P37231 3/20 0.58

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
SCHEMBL9041185 0.93 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9043590 0.93 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL9041049 0.93 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9042283 0.93 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL9042954 0.92 AGTR1 (0.64) AGTR1AGTR2PPARG
SCHEMBL9041377 0.92 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9043419 0.91 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9043258 0.91 PPARG (0.63) AGTR1AGTR2PPARG
SCHEMBL9044125 0.90 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9040310 0.90 AGTR1 (0.65) 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-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed