SCHEMBL8312993

SCHEMBL8312993

N=C(N)c1ccc(N2CC(CN3CCC(OC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.46
PRSS2 P07478 12/20 0.46
PRSS3 P35030 12/20 0.46
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
F10 P00742 10/20 0.46
F2 P00734 3/20 0.46
SIGMAR1 Q99720 5/20 0.43
HPN P05981 3/20 0.43
HGFAC Q04756 3/20 0.43
ST14 Q9Y5Y6 3/20 0.43
GRM2 Q14416 1/20 0.43

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
SCHEMBL8316057 1.00 PRSS1 (0.46) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8313362 1.00 PRSS1 (0.46) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8948672 0.88 F10 (0.57) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8948668 0.88 F10 (0.57) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8948763 0.88 F10 (0.57) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8316694 0.88 ITGB3 (0.56) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8313193 0.86 ITGB3 (0.51) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8452739 0.85 SIGMAR1 (0.44) SIGMAR1GRM2
SCHEMBL8451456 0.85 SIGMAR1 (0.44) SIGMAR1GRM2
SCHEMBL8457744 0.85 SIGMAR1 (0.44) SIGMAR1GRM2

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 1 patent. 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