SCHEMBL1287102

SCHEMBL1287102

COC(=O)C1CCN(C(=O)OC)C(CN2CCC(F)(F)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
METAP2 P50579 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL1287034 0.91 OPRK1 (0.34) OPRK1CYP2D6DPP4METAP2HRH3
SCHEMBL1287090 0.84 OPRK1 (0.31) OPRK1GAA
Hydrochloric Acid SCHEMBL1287023 0.79 OPRK1 (0.37) OPRK1
SCHEMBL3073995 0.79 OPRK1 (0.35) OPRK1TP53GAASMN1; SMN2ALDH1A1
SCHEMBL1287037 0.78 OPRK1 (0.50) OPRK1TP53GAASMN1; SMN2ALDH1A1
SCHEMBL1287096 0.77 OPRK1 (0.30) OPRK1
SCHEMBL1287003 0.76 OPRK1 (0.41) OPRK1TP53GAASMN1; SMN2ALDH1A1
SCHEMBL587150 0.75 OPRK1 (0.33) OPRK1TP53GAASMN1; SMN2ALDH1A1
SCHEMBL1287035 0.74 OPRK1 (0.49) OPRK1TP53SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1287022 0.74 DPP4 (0.31) OPRK1TP53DPP4HRH3

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-2012047156-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS PLASMINOGEN INHIBITORS AND THEIR USE IN THE TREATMENT OF FIBRINOLYSIS RELATED DISEASES ASTRAZENECA AB (SE) 2012-04-12 WO disclosed