SCHEMBL9200616

SCHEMBL9200616

CCOCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
AGTR2 P50052 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
SCHEMBL9200129 0.93 PPARG (0.51) PPARGAGTR2
SCHEMBL9197624 0.92 PPARG (0.50) PPARGAGTR2
SCHEMBL9191687 0.92 PPARG (0.53) PPARGAGTR2
SCHEMBL9197341 0.91 PPARG (0.52) PPARGAGTR2
SCHEMBL9199820 0.89 PPARG (0.57) PPARGAGTR2
SCHEMBL9197540 0.89 PPARG (0.50) PPARGAGTR2
SCHEMBL9200387 0.89 PPARG (0.50) PPARGAGTR2
SCHEMBL9197079 0.89 PPARG (0.50) PPARGAGTR2
SCHEMBL9193338 0.88 PPARG (0.49) PPARGAGTR2
SCHEMBL4251262 0.88 PPARG (0.49) PPARGAGTR2

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 3 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
US-5250554-A Cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed