SCHEMBL8315140

SCHEMBL8315140

NCc1ccc(N2CC(CN3CCCCC3C(=O)O)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.41
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
F2 P00734 4/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
GRM2 Q14416 1/20 0.41
SIGMAR1 Q99720 3/20 0.38

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
SCHEMBL8312680 0.97 F10 (0.42) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8315109 0.86 F10 (0.54) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8315141 0.85 F10 (0.39) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8315766 0.84 GRM2 (0.50) F10F2GRM2SIGMAR1
SCHEMBL8948839 0.83 F10 (0.49) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8313555 0.82 ITGB3 (0.54) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8312681 0.82 F10 (0.40) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8316229 0.81 GRM2 (0.51) F10F2GRM2SIGMAR1
SCHEMBL8948665 0.80 F10 (0.52) F10ITGB3ITGA2BF2PRSS1
SCHEMBL8948621 0.80 F10 (0.52) F10ITGB3ITGA2BF2PRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed
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