SCHEMBL3845721

SCHEMBL3845721

CCCc1nc(C(=O)OCOC(=O)C(C)(C)C)c(C(C)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.44
AGTR2 P50052 9/20 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
SCHEMBL7910761 0.96 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7428535 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL3844504 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL668341 0.88 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL668340 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7305879 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9387341 0.85 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL669229 0.85 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL7438005 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL7910642 0.84 AGTR1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884240-B1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE DAIICHI SANKYO CO LTD (JP) 2009-11-11 EP claimed
EP-0545912-B1 1-Biphenylmethylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP claimed