SCHEMBL4573448

SCHEMBL4573448

CCOc1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.48
MAP4K4 O95819 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
NR1H3 Q13133 12/20 0.44
NR1H2 P55055 12/20 0.44
MAPT P10636 1/20 0.43
HDAC1 Q13547 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
SCHEMBL4573160 0.92 SUV39H2 (0.47) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL8117347 0.92 SUV39H2 (0.47) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL8109925 0.89 SUV39H2 (0.48) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL4573063 0.89 SUV39H2 (0.48) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL4573114 0.87 GPR119 (0.51) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL8116063 0.87 GPR119 (0.51) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL17385131 0.86 NR1H3 (0.46) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL19107119 0.85 NR1H3 (0.54) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL4573558 0.84 SUV39H2 (0.49) SUV39H2MAP4K4GPR119NR1H3NR1H2
SCHEMBL8109701 0.84 SUV39H2 (0.49) SUV39H2MAP4K4GPR119NR1H3NR1H2

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