SCHEMBL8450720

SCHEMBL8450720

CCOC(=O)OC1CCCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.49
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
F10 P00742 6/20 0.41
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
F2 P00734 1/20 0.38
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL8448358 0.97 GRM2 (0.48) GRM2ITGB3ITGA2BF10PRSS1
SCHEMBL8452312 0.89 GRM2 (0.46) GRM2F10SIGMAR1
SCHEMBL8458262 0.88 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL8446291 0.87 GRM2 (0.48) GRM2ITGB3ITGA2BF10PRSS1
SCHEMBL8454752 0.86 GRM2 (0.46) GRM2F10SIGMAR1
SCHEMBL8456598 0.85 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL8948753 0.85 GRM2 (0.51) GRM2ITGB3ITGA2BF10PRSS1
SCHEMBL8452361 0.84 GRM2 (0.51) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8458486 0.84 GRM2 (0.51) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8948802 0.83 F10 (0.51) GRM2ITGB3ITGA2BF10PRSS1

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
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed