SCHEMBL7005696

SCHEMBL7005696

CCCCc1nc2cccc(C(=O)OCOC(=O)C(C)(C)C)c2n1Cc1ccc2nc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGT P01019 2/20 0.47
AGTR1 P30556 2/20 0.41
AGTR2 P50052 2/20 0.41

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
SCHEMBL7015090 0.85 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8112903 0.79 AGTR2 (0.52) AGTAGTR1AGTR2
SCHEMBL12991387 0.78 AGT (0.56) AGTAGTR1AGTR2
SCHEMBL9195284 0.78 AGTR2 (0.58) AGTAGTR1AGTR2
SCHEMBL7008517 0.76 AGTR1 (0.49) AGTAGTR1AGTR2
SCHEMBL7007160 0.75
SCHEMBL5503035 0.74 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9200120 0.74 AGTR2 (0.54) AGTR1AGTR2
SCHEMBL7010230 0.74 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9596667 0.73 AGTR1 (0.41) AGTAGTR1AGTR2

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