SCHEMBL7067589

SCHEMBL7067589

COc1cc(CN2CCOCC2)ccc1OCC1CN(c2ccc(C(=N)N)cc2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.47
PRSS1 P07477 9/20 0.47
PRSS2 P07478 9/20 0.47
ITGA2B P08514 9/20 0.47
PRSS3 P35030 9/20 0.47
F10 P00742 6/20 0.47
F2 P00734 1/20 0.47
DRD4 P21917 6/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL7066510 0.83 PRSS1 (0.49) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7064662 0.81 ITGB3 (0.48) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7068120 0.77 GRM2 (0.51) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8152970 0.76 ITGB3 (0.49) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8137355 0.76 ITGB3 (0.49) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7068806 0.75 GRM2 (0.48) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7069257 0.74 GRM2 (0.61) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8147135 0.74 ITGB3 (0.49) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8146587 0.74 ITGB3 (0.49) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7386950 0.74 GRM2 (0.63) ITGB3PRSS1PRSS2ITGA2BPRSS3

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-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO claimed
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO disclosed