SCHEMBL14664320

SCHEMBL14664320

CN(C)OCC(O)CNC(=O)CN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
OPRM1 P35372 6/20 0.33
OPRD1 P41143 6/20 0.33
OPRK1 P41145 6/20 0.33
ALDH1A1 P00352 3/20 0.33
BLM P54132 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
AKT1 P31749 1/20 0.32
KAT2A Q92830 1/20 0.30
KAT2B Q92831 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL10067043 0.83 POLB (0.31) LMNA
SCHEMBL25704255 0.77 GSK3A (0.42) GSK3AGSK3BOPRM1OPRD1OPRK1
SCHEMBL30395097 0.77 GSK3A (0.42) GSK3AGSK3BOPRM1OPRD1OPRK1
SCHEMBL10067009 0.77 HDAC3 (0.36) ALDH1A1LMNA
SCHEMBL25683883 0.74 GSK3A (0.42) GSK3AGSK3BALDH1A1BLMCYP1A2
SCHEMBL25679992 0.74 GSK3A (0.42) GSK3AGSK3BALDH1A1BLMCYP1A2
SCHEMBL25680048 0.73 GSK3A (0.41) GSK3AGSK3BOPRM1OPRD1OPRK1
SCHEMBL19795400 0.72 GSK3A (0.44) GSK3AGSK3BALDH1A1BLMCYP1A2
SCHEMBL10018581 0.70 MGLL (0.38) OPRM1OPRD1OPRK1ALDH1A1BLM
SCHEMBL3665093 0.70 GSK3A (0.52) GSK3AGSK3BALDH1A1BLMCYP1A2

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
US-8361442-B2 Oxime conjugates and methods for their formation and use THE GENERAL HOSPITAL CORPORATION (US) 2013-01-29 US disclosed