SCHEMBL1287003

SCHEMBL1287003

COC(=O)C1CCN(C(=O)OC)C(CN2C(C)(C)CCCC2(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD11B1 P28845 4/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1287042 0.90 OPRK1 (0.33) OPRK1POLBHSD17B10
SCHEMBL1287069 0.83 CHRM1 (0.35) OPRK1ALDH1A1GAA
SCHEMBL1287027 0.77
SCHEMBL1287102 0.76 OPRK1 (0.42) OPRK1SMN1; SMN2TP53ALDH1A1GAA
SCHEMBL1287037 0.75 OPRK1 (0.50) OPRK1SMN1; SMN2TP53ALDH1A1GAA
SCHEMBL3073995 0.73 OPRK1 (0.35) OPRK1POLBSMN1; SMN2TP53ALDH1A1
SCHEMBL1287002 0.73 OPRK1 (0.40) OPRK1POLBSMN1; SMN2TP53ALDH1A1
SCHEMBL1287001 0.73 OPRK1 (0.40) OPRK1POLBSMN1; SMN2TP53ALDH1A1
SCHEMBL1287061 0.73 OPRK1 (0.40) OPRK1POLBSMN1; SMN2TP53ALDH1A1
SCHEMBL1287095 0.73 PLG (0.41)

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