SCHEMBL8312681

SCHEMBL8312681

NCc1ccc(N2CC(CN3CCCC3OC(=O)O)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.40
GRM2 Q14416 5/20 0.40
SIGMAR1 Q99720 5/20 0.39
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
F2 P00734 2/20 0.39

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
SCHEMBL8315141 0.97 F10 (0.39) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8313556 0.86 ITGB3 (0.50) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8311319 0.85 SIGMAR1 (0.42) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8312680 0.85 F10 (0.42) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8315111 0.83 ITGB3 (0.49) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8316462 0.82 SIGMAR1 (0.46) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8310904 0.82 SIGMAR1 (0.46) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8315140 0.82 F10 (0.41) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8312579 0.82 SIGMAR1 (0.46) F10GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948839 0.80 F10 (0.49) F10ITGB3ITGA2BPRSS1PRSS2

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