SCHEMBL7456296

SCHEMBL7456296

N=C(N)c1ccc(N2CC(C(=O)N[C@H](CC(=O)O)C(=O)O)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 15/20 0.44
ITGB3 P05106 12/20 0.44
ITGA2B P08514 12/20 0.44
PRSS2 P07478 8/20 0.44
PRSS3 P35030 8/20 0.44
F10 P00742 5/20 0.44
F2 P00734 1/20 0.43
TMPRSS15 P98073 8/20 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
SCHEMBL7462123 0.87 ADORA2A (0.48) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL7463401 0.85 ITGB3 (0.45) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL7452003 0.84 ITGB3 (0.46) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL7462112 0.82 ADORA2A (0.54) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL7458402 0.80 ITGB3 (0.53) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL7463795 0.79 ITGB3 (0.45) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL7466423 0.79 ITGB3 (0.51) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL7457527 0.78 ADORA2A (0.43) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8893573 0.77 ADORA2A (0.48)
SCHEMBL8892462 0.77 ITGB3 (0.49) ITGB3ITGA2BF10

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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP claimed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US claimed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed