SCHEMBL8315429

SCHEMBL8315429

N=C(N)c1ccc(N2CC(CN3CCCC(OC(=O)O)C3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.49
ITGB3 P05106 10/20 0.49
ITGA2B P08514 10/20 0.49
PRSS2 P07478 9/20 0.49
PRSS3 P35030 9/20 0.49
F10 P00742 7/20 0.49
F2 P00734 3/20 0.48
SIGMAR1 Q99720 6/20 0.41
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
GRM2 Q14416 1/20 0.39
PLG P00747 1/20 0.39

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 0.89 ITGB3 (0.51) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8948609 0.89 ITGB3 (0.48) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8311319 0.87 SIGMAR1 (0.42) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8313556 0.86 ITGB3 (0.50) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8315424 0.85 ITGB3 (0.58) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8453566 0.84 GRM2 (0.48) SIGMAR1GRM2
SCHEMBL8317067 0.84 ITGB3 (0.52) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8312934 0.84 ITGB3 (0.52) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8315111 0.83 ITGB3 (0.49) PRSS1ITGB3ITGA2BPRSS2PRSS3
SCHEMBL8313893 0.83 ITGB3 (0.51) PRSS1ITGB3ITGA2BPRSS2PRSS3

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