SCHEMBL9199706

SCHEMBL9199706

CCCCc1nc2cc(OC)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.55
AGTR2 P50052 2/20 0.55
PPARG P37231 2/20 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
SCHEMBL9195684 0.93 EDNRA (0.55) AGTR1AGTR2PPARG
SCHEMBL8971991 0.91 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL9854234 0.89 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9198004 0.89 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL8972530 0.88 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8972525 0.88 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8393351 0.88 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL9845754 0.87 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9192880 0.86 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8971427 0.85 PPARG (0.52) AGTR1AGTR2PPARG

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