SCHEMBL8458486

SCHEMBL8458486

CCOC(=O)OC1CCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.51
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
SIGMAR1 Q99720 16/20 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
SCHEMBL8452361 1.00 GRM2 (0.51) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8446291 0.90 GRM2 (0.48) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8458494 0.88 GRM2 (0.48) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8448374 0.88 GRM2 (0.48) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8451456 0.88 SIGMAR1 (0.44) GRM2SIGMAR1
SCHEMBL8457744 0.88 SIGMAR1 (0.44) GRM2SIGMAR1
SCHEMBL8452739 0.88 SIGMAR1 (0.44) GRM2SIGMAR1
SCHEMBL8948834 0.87 ITGB3 (0.50) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8948784 0.87 GRM2 (0.53) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8948675 0.87 GRM2 (0.53) GRM2ITGB3ITGA2BSIGMAR1

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