SCHEMBL3842922

SCHEMBL3842922

CCCCc1nc(C(=O)OCOC(=O)OCC)c(C(C)(C)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.55
AGTR1 P30556 2/20 0.55
PPARG P37231 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3848685 0.96 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL3849928 0.92 AGTR1 (0.49) AGTR2AGTR1PPARGKCNH2
SCHEMBL7438005 0.92 AGTR1 (0.52) AGTR2AGTR1
SCHEMBL7889722 0.91 AGTR1 (0.43) AGTR2AGTR1
SCHEMBL668712 0.89 AGTR1 (0.54) AGTR2AGTR1
SCHEMBL668713 0.88 AGTR1 (0.49) AGTR2AGTR1PPARG
SCHEMBL3842278 0.88 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL7428535 0.87 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL7300844 0.86 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL7886577 0.86 AGTR1 (0.40) AGTR2AGTR1

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 1 patent. 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