SCHEMBL8315960

SCHEMBL8315960

CC(C)(C)OC(=O)OC1CCN(CC2CN(c3ccc(CNC(=N)N)cc3)C(=O)O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.43
ITGA2B P08514 9/20 0.43
F10 P00742 8/20 0.43
PRSS1 P07477 8/20 0.43
PRSS2 P07478 8/20 0.43
PRSS3 P35030 8/20 0.43
F2 P00734 1/20 0.43
SIGMAR1 Q99720 9/20 0.40

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
SCHEMBL8316698 0.89 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8317566 0.88 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8314726 0.87 SIGMAR1 (0.44) ITGB3ITGA2BSIGMAR1
SCHEMBL8312792 0.86 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1
SCHEMBL8315274 0.84 SIGMAR1 (0.43) ITGB3ITGA2BSIGMAR1
SCHEMBL8317559 0.82 F10 (0.59) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8448374 0.81 GRM2 (0.48) ITGB3ITGA2BSIGMAR1
SCHEMBL8458494 0.81 GRM2 (0.48) ITGB3ITGA2BSIGMAR1
SCHEMBL8314784 0.77 SIGMAR1 (0.44) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8311141 0.77 SIGMAR1 (0.44) ITGB3ITGA2BF10PRSS1PRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed