SCHEMBL7018967

SCHEMBL7018967

CCCc1nn2ncc(C(=O)OCOC(=O)C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.53
AGTR2 P50052 5/20 0.53
AGT P01019 2/20 0.44

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
SCHEMBL7013722 0.94 AGTR1 (0.56) AGTR1AGTR2AGT
SCHEMBL7008117 0.84 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9140346 0.84 AGTR1 (0.61) AGTR1AGTR2AGT
SCHEMBL7908421 0.82 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL8860958 0.82 AGTR1 (0.56) AGTR1AGTR2AGT
SCHEMBL7297174 0.82 AGTR1 (0.56) AGTR1AGTR2AGT
SCHEMBL7008517 0.81 AGTR1 (0.49) AGTR1AGTR2AGT
SCHEMBL7306979 0.81 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL12991387 0.80 AGT (0.56) AGTR1AGTR2AGT
SCHEMBL7014805 0.79 AGTR1 (0.51) AGTR1AGTR2AGT

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