SCHEMBL9252791

SCHEMBL9252791

CCCc1nc2ccc(NC(=O)N3CCCC3)cc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.57
AGTR2 P50052 1/20 0.57
PPARG P37231 13/20 0.56

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
SCHEMBL9258881 0.94 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9255362 0.88 AGTR1 (0.47) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9094559 0.88 PPARG (0.64) AGTR1AGTR2PPARG
SCHEMBL8393621 0.87 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9255199 0.86 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9095621 0.83 AGTR1 (0.55) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9096310 0.83 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL9510137 0.82 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL8393551 0.81 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL27539271 0.80 AGTR1 (0.86) AGTR1AGTR2

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
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed