SCHEMBL8312579

SCHEMBL8312579

NCc1ccc(N2C[C@H](CN3CCC(OC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
GRM2 Q14416 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL8310904 1.00 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL8316462 1.00 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL8311141 0.89 SIGMAR1 (0.44) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8314784 0.89 SIGMAR1 (0.44) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8311319 0.89 SIGMAR1 (0.42) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL8948664 0.88 SIGMAR1 (0.45) SIGMAR1ITGB3ITGA2BGRM2F10
SCHEMBL8310860 0.87 ITGB3 (0.50) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8313647 0.87 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8314726 0.86 SIGMAR1 (0.44) SIGMAR1ITGB3ITGA2B
SCHEMBL8948621 0.86 F10 (0.52) SIGMAR1ITGB3ITGA2BGRM2F10

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