SCHEMBL4589089

SCHEMBL4589089

CC(C)n1ccc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.49
NR1H2 P55055 14/20 0.48
NR1H3 Q13133 13/20 0.48
MAP4K4 O95819 1/20 0.44
GPR119 Q8TDV5 2/20 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
SCHEMBL4589084 1.00 SUV39H2 (0.49) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4590280 0.83 SUV39H2 (0.49) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4590279 0.83 SUV39H2 (0.49) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4573155 0.81 SUV39H2 (0.47) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4573157 0.81 SUV39H2 (0.47) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4589911 0.77 SUV39H2 (0.47) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4589914 0.77 SUV39H2 (0.47) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL20139199 0.77 FAAH (0.56) NR1H2NR1H3MAP4K4GPR119
SCHEMBL15819221 0.77 FAAH (0.56) NR1H2NR1H3MAP4K4GPR119
SCHEMBL20139232 0.77 NR1H2 (0.55) SUV39H2NR1H2NR1H3

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed