SCHEMBL8314528

SCHEMBL8314528

N=C(N)c1ccc(N2CC(CN3CCC(N)(OC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.50
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
PRSS1 P07477 7/20 0.48
PRSS2 P07478 7/20 0.48
PRSS3 P35030 7/20 0.48
F10 P00742 4/20 0.48
F2 P00734 1/20 0.47

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
SCHEMBL8316586 0.90 SIGMAR1 (0.52) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8312623 0.88 ITGB3 (0.55) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8314525 0.87 SIGMAR1 (0.50) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8318373 0.85 ITGB3 (0.49) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8316580 0.85 SIGMAR1 (0.52) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8312371 0.83 SIGMAR1 (0.51) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8858122 0.83 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8313193 0.82 ITGB3 (0.51) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8312934 0.82 ITGB3 (0.52) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8317067 0.82 ITGB3 (0.52) SIGMAR1ITGB3ITGA2BPRSS1PRSS2

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