SCHEMBL7452003

SCHEMBL7452003

C[C@@H](NC(=O)C1CN(c2ccc(C(=N)N)cc2)C(=O)O1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.46
ITGA2B P08514 14/20 0.46
PRSS1 P07477 9/20 0.46
PRSS2 P07478 9/20 0.46
PRSS3 P35030 9/20 0.46
F10 P00742 6/20 0.46
F2 P00734 1/20 0.44
F9 P00740 1/20 0.38

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
SCHEMBL7463795 0.90 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7466875 0.86 ITGB3 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7456296 0.84 PRSS1 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7462123 0.82 ADORA2A (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7466423 0.81 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7463401 0.80 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7462112 0.79 ADORA2A (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7458402 0.78 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7457527 0.76 ADORA2A (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7466126 0.76 ITGB3 (0.48) 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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed