SCHEMBL8448702

SCHEMBL8448702

CCOC(=O)OC1(O)CCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.52
GRM2 Q14416 1/20 0.50
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL8451080 0.91 ITGB3 (0.49) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948678 0.88 SIGMAR1 (0.53) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8579178 0.88 SIGMAR1 (0.46) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948642 0.86 SIGMAR1 (0.52) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948662 0.85 ITGB3 (0.51) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948629 0.85 ITGB3 (0.52) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8452361 0.84 GRM2 (0.51) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8458486 0.84 GRM2 (0.51) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948708 0.83 ITGB3 (0.65) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948637 0.83 ITGB3 (0.65) SIGMAR1GRM2ITGB3ITGA2B

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