SCHEMBL8306311

SCHEMBL8306311

N=C(N)c1ccc(N2CC(COc3ccc(CC(=O)O)c(CC(=O)O)c3)OC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.50
ITGB3 P05106 5/20 0.45
PRSS1 P07477 5/20 0.45
PRSS2 P07478 5/20 0.45
ITGA2B P08514 5/20 0.45
PRSS3 P35030 5/20 0.45
F10 P00742 3/20 0.45
F2 P00734 1/20 0.44

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
SCHEMBL8151990 0.90 GRM2 (0.48) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8151677 0.87 GRM2 (0.57) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8138910 0.87 GRM2 (0.48) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8151836 0.87 GRM2 (0.53) GRM2
SCHEMBL8151833 0.87 GRM2 (0.52) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8146333 0.86 GRM2 (0.61) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7386950 0.86 GRM2 (0.63) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8146587 0.85 ITGB3 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8138893 0.85 GRM2 (0.55) GRM2
SCHEMBL8147957 0.85 GRM2 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B

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-0645376-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
US-5723480-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-03 US disclosed
US-5561148-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0645376-A1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1995-03-29 EP disclosed