SCHEMBL8312371

SCHEMBL8312371

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.51
F10 P00742 3/20 0.49
ITGB3 P05106 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
ITGA2B P08514 3/20 0.49
PRSS3 P35030 3/20 0.49
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
SCHEMBL8318373 0.90 ITGB3 (0.49) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL8858122 0.89 ITGB3 (0.48) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL8316580 0.88 SIGMAR1 (0.52) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL7308020 0.88 ITGB3 (0.47) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL8314525 0.86 SIGMAR1 (0.50) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL8316586 0.85 SIGMAR1 (0.52) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL8948622 0.85 ITGB3 (0.55) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL8948808 0.85 ITGB3 (0.55) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL6156619 0.85 ITGB3 (0.55) SIGMAR1F10ITGB3PRSS1PRSS2
SCHEMBL8314528 0.83 SIGMAR1 (0.50) SIGMAR1F10ITGB3PRSS1PRSS2

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-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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed