SCHEMBL9199820

SCHEMBL9199820

CCCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
AGTR2 P50052 3/20 0.54
AGTR1 P30556 2/20 0.54

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
SCHEMBL7016557 0.92 PPARG (0.58) PPARGAGTR2AGTR1
SCHEMBL9191687 0.91 PPARG (0.53) PPARGAGTR2
SCHEMBL9197341 0.91 PPARG (0.52) PPARGAGTR2
SCHEMBL9443303 0.91 PPARG (0.52) PPARGAGTR2AGTR1
SCHEMBL9443115 0.90 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9194503 0.90 PPARG (0.57) PPARG
SCHEMBL9200616 0.89 PPARG (0.51) PPARGAGTR2
SCHEMBL9200129 0.89 PPARG (0.51) PPARGAGTR2
SCHEMBL9200387 0.88 PPARG (0.50) PPARGAGTR2
SCHEMBL9197540 0.88 PPARG (0.50) 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 4 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
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed