SCHEMBL8539677

SCHEMBL8539677

CCCCn1c(=O)cc(CCC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.49
AGTR2 P50052 2/20 0.49

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
SCHEMBL8539208 0.94 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8537705 0.92 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8544626 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9414205 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9036191 0.86 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL8539663 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8539427 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8543557 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8541171 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9037160 0.84 AGTR1 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442473-B1 Pyrimidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-19 EP claimed
US-5162326-A Antagonists for angeotensin; hypotensive agents; treatment for heart diseases, strokes TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US claimed
EP-0442473-A1 Pyrimidinedione derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-21 EP claimed