SCHEMBL9191900

SCHEMBL9191900

CCCCc1nc2cccc(CC(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.53
AGTR2 P50052 1/20 0.53

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
SCHEMBL9443118 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9193395 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL905714 0.89 AGTR2 (0.62) AGTR1AGTR2
SCHEMBL9194310 0.88 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL9194328 0.88 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL9195963 0.88 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL9443021 0.87 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9443019 0.87 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9443030 0.87 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9443313 0.87 AGTR1 (0.53) 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 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