SCHEMBL7010732

SCHEMBL7010732

CCCc1cc2cccc(C(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
AGTR2 P50052 6/20 0.45
AGTR1 P30556 5/20 0.45

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
SCHEMBL7014920 0.94 AGTR2 (0.43) PPARGAGTR2AGTR1
SCHEMBL7010363 0.90 PPARG (0.44) PPARGAGTR2AGTR1
SCHEMBL7009954 0.90 PPARG (0.58) PPARGAGTR2AGTR1
SCHEMBL9193450 0.83 AGTR2 (0.51) PPARGAGTR2AGTR1
SCHEMBL7006605 0.83 PPARG (0.48) PPARGAGTR2AGTR1
SCHEMBL9194925 0.83 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL7007439 0.82 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL9427600 0.82 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL9194756 0.82 AGTR2 (0.52) PPARGAGTR2AGTR1
SCHEMBL9194556 0.82 AGTR2 (0.52) PPARGAGTR2AGTR1

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-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed