SCHEMBL8137355

SCHEMBL8137355

COC(=O)Cc1ccc(OCC2CN(c3ccc(C(=N)N)cc3)C(=O)O2)c(CC(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGA2B P08514 10/20 0.49
PRSS1 P07477 9/20 0.49
PRSS2 P07478 9/20 0.49
PRSS3 P35030 9/20 0.49
F10 P00742 6/20 0.49
F2 P00734 1/20 0.49
GRM2 Q14416 9/20 0.42

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
SCHEMBL8152970 0.93 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8151692 0.90 F10 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8145281 0.89 GRM2 (0.46) GRM2
SCHEMBL8147135 0.89 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8152496 0.89 GRM2 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8148161 0.87 GRM2 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8151830 0.86 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8151583 0.86 GRM2 (0.47) GRM2
SCHEMBL8139531 0.86 GRM2 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8147083 0.85 GRM2 (0.58) 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 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