SCHEMBL8313827

SCHEMBL8313827

N=C(N)Nc1ccc(N2CC(CN3CCC(OC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
SIGMAR1 Q99720 11/20 0.44
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
F10 P00742 5/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL8313193 0.88 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8317566 0.88 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8316698 0.87 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8311141 0.87 SIGMAR1 (0.44) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8314784 0.87 SIGMAR1 (0.44) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8313822 0.87 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8316462 0.84 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1F10
SCHEMBL8310904 0.84 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1F10
SCHEMBL8312579 0.84 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1F10
SCHEMBL8948496 0.81 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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