SCHEMBL4590280

SCHEMBL4590280

C[C@@H]1CN(c2ccn(C3CC3)c(=O)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.49
NR1H2 P55055 12/20 0.46
NR1H3 Q13133 11/20 0.46
MAP4K4 O95819 1/20 0.44
FAAH O00519 2/20 0.42
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
SCHEMBL4590279 1.00 SUV39H2 (0.49) SUV39H2NR1H2NR1H3MAP4K4FAAH
SCHEMBL4590367 0.84 NPC1 (0.42) SUV39H2FAAH
SCHEMBL4589089 0.83 SUV39H2 (0.49) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4589084 0.83 SUV39H2 (0.49) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4573155 0.81 SUV39H2 (0.47) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL4573157 0.81 SUV39H2 (0.47) SUV39H2NR1H2NR1H3MAP4K4GPR119
SCHEMBL20139199 0.79 FAAH (0.56) NR1H2NR1H3MAP4K4FAAHGPR119
SCHEMBL15819221 0.79 FAAH (0.56) NR1H2NR1H3MAP4K4FAAHGPR119
SCHEMBL20141060 0.79 NR1H2 (0.55) SUV39H2NR1H2NR1H3MAP4K4FAAH
SCHEMBL20139232 0.79 NR1H2 (0.55) SUV39H2NR1H2NR1H3FAAH

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