SCHEMBL8313193

SCHEMBL8313193

N=C(N)c1ccc(N2CC(CN3CCC(OC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
PRSS1 P07477 9/20 0.51
PRSS2 P07478 9/20 0.51
PRSS3 P35030 9/20 0.51
F10 P00742 6/20 0.51
F2 P00734 1/20 0.50
SIGMAR1 Q99720 9/20 0.45

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
SCHEMBL8315429 0.89 PRSS1 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8311141 0.89 SIGMAR1 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8314784 0.89 SIGMAR1 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313827 0.88 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948643 0.88 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8316694 0.88 ITGB3 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313192 0.87 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8312993 0.86 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8316057 0.86 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313362 0.86 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3

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 4 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 claimed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP claimed
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