SCHEMBL8151990

SCHEMBL8151990

COC(=O)Cc1ccc(OCC2CN(c3ccc(C(=N)N)cc3)C(=O)O2)cc1CC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.48
ITGB3 P05106 7/20 0.46
PRSS1 P07477 7/20 0.46
PRSS2 P07478 7/20 0.46
ITGA2B P08514 7/20 0.46
PRSS3 P35030 7/20 0.46
F10 P00742 4/20 0.46
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
SCHEMBL8306311 0.90 GRM2 (0.50) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8148161 0.88 GRM2 (0.54) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8152669 0.88 GRM2 (0.46) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8145553 0.87 GRM2 (0.52) GRM2
SCHEMBL8139531 0.87 GRM2 (0.48) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8147083 0.87 GRM2 (0.58) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8152970 0.86 ITGB3 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8151648 0.85 ITGB3 (0.47) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8145217 0.85 GRM2 (0.53) GRM2
SCHEMBL8151709 0.85 GRM2 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028090-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-22 US disclosed
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