SCHEMBL9197830

SCHEMBL9197830

CCCCc1nc2cc(C)cc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.57
AGTR1 P30556 2/20 0.57

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
SCHEMBL9442997 0.93 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL9192213 0.93 AGTR2 (0.58) AGTR2AGTR1
SCHEMBL9194833 0.92
SCHEMBL905714 0.90 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL9194310 0.89 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL9194328 0.89 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL9195963 0.89 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL9191666 0.87 PPARG (0.62) AGTR2
SCHEMBL9197604 0.85 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9195175 0.84 AGTR2 (0.50) AGTR2AGTR1

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-0425921-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 EP disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed