SCHEMBL8313164

SCHEMBL8313164

N=C(N)c1ccc(N2CC(CN3CCN(Cc4ccccc4)C(OC(=O)O)C3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.44
ITGA2B P08514 13/20 0.44
PRSS1 P07477 10/20 0.44
PRSS2 P07478 10/20 0.44
PRSS3 P35030 10/20 0.44
F10 P00742 8/20 0.44
F2 P00734 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
HPN P05981 1/20 0.43
HGFAC Q04756 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
GRM2 Q14416 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
SCHEMBL8315694 0.89 SIGMAR1 (0.45) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8313161 0.87 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315175 0.85 F10 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948750 0.84 F10 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313556 0.79 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313193 0.79 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7384989 0.79 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315111 0.79 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315429 0.79 PRSS1 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8449318 0.77 SIGMAR1 (0.41) SIGMAR1GRM2

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