SCHEMBL9040476

SCHEMBL9040476

CCCCc1nc2cccc(NCCC)c2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.52
AGTR1 P30556 1/20 0.52
PPARG P37231 1/20 0.49

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
SCHEMBL9041092 0.91 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL8392450 0.87 AGTR2 (0.69) AGTR2AGTR1PPARG
SCHEMBL9040674 0.87 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9043313 0.87 AGTR2 (0.56) AGTR2AGTR1PPARG
SCHEMBL9040398 0.87 AGTR2 (0.56) AGTR2AGTR1PPARG
Water SCHEMBL9041722 0.86 AGTR2 (0.55) AGTR2AGTR1PPARG
SCHEMBL9041480 0.85 PPARG (0.54) AGTR2AGTR1PPARG
SCHEMBL8393035 0.84 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL9041212 0.84 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL9041377 0.83 AGTR1 (0.74) AGTR2AGTR1PPARG

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