SCHEMBL8313161

SCHEMBL8313161

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.48
ITGA2B P08514 15/20 0.48
PRSS1 P07477 10/20 0.48
PRSS2 P07478 10/20 0.48
PRSS3 P35030 10/20 0.48
F10 P00742 8/20 0.48
F2 P00734 1/20 0.48
HPN P05981 1/20 0.45
HGFAC Q04756 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
GRM2 Q14416 1/20 0.43
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
SCHEMBL8948750 0.89 F10 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315692 0.88 GRM2 (0.45) ITGB3ITGA2BF10GRM2SIGMAR1
SCHEMBL8313164 0.87 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315175 0.87 F10 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8313108 0.85 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL7384989 0.81 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7384783 0.79 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948808 0.79 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6156619 0.79 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948622 0.79 ITGB3 (0.55) 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 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