SCHEMBL1287002

SCHEMBL1287002

COC(=O)C1CCN(C(=O)OC)C(CN2CCCC2C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PEPD P12955 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
FKBP1A P62942 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1287061 1.00 OPRK1 (0.40) OPRK1ALDH1A1SMN1; SMN2PEPDTP53
SCHEMBL1287001 1.00 OPRK1 (0.40) OPRK1ALDH1A1SMN1; SMN2PEPDTP53
SCHEMBL1287053 0.91 HSD17B10 (0.33) OPRK1SMN1; SMN2HSD17B10
SCHEMBL1287057 0.91 HSD17B10 (0.33) OPRK1SMN1; SMN2HSD17B10
SCHEMBL1287054 0.91 HSD17B10 (0.33) OPRK1SMN1; SMN2HSD17B10
SCHEMBL1287065 0.85 GAA (0.31) GAAHSD17B10
SCHEMBL1287123 0.85 GAA (0.31) GAAHSD17B10
SCHEMBL1287122 0.85 GAA (0.31) GAAHSD17B10
SCHEMBL1287066 0.85 GAA (0.31) GAAHSD17B10
SCHEMBL1287064 0.85 GAA (0.31) GAAHSD17B10

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