SCHEMBL8315424

SCHEMBL8315424

N=C(N)c1ccc(N2CC(CN3CCCC(C(=O)O)C3)OC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.58
ITGA2B P08514 13/20 0.58
F10 P00742 13/20 0.58
PRSS1 P07477 9/20 0.58
PRSS2 P07478 9/20 0.58
PRSS3 P35030 9/20 0.58
F2 P00734 4/20 0.56
SIGMAR1 Q99720 2/20 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
SCHEMBL8313192 0.89 ITGB3 (0.66) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8317067 0.86 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8312934 0.86 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8311318 0.86 F10 (0.49) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8315429 0.85 PRSS1 (0.49) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8316123 0.85 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8313893 0.85 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8313359 0.85 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8948612 0.85 ITGB3 (0.49) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8948609 0.84 ITGB3 (0.48) ITGB3ITGA2BF10PRSS1PRSS2

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 3 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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed