SCHEMBL8788840

SCHEMBL8788840

CCCCc1nc2cc(N3CC4CCCCC4C3=O)ccc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51
PPARG P37231 1/20 0.48

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
SCHEMBL8790049 0.95 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8789176 0.91 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9096508 0.91 AGTR1 (0.63) AGTR1AGTR2PPARG
SCHEMBL9095824 0.87 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL8789487 0.86 AGTR1 (0.63) AGTR1AGTR2PPARG
SCHEMBL9043294 0.82 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL9096839 0.82 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9041049 0.81 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9043590 0.81 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL9041185 0.81 PPARG (0.60) 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