SCHEMBL8315207

SCHEMBL8315207

NCc1ccc(N2CC(CN3CCC(CC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.45
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL8310900 0.87 F10 (0.52) SIGMAR1ITGB3ITGA2BF10F2
SCHEMBL8948621 0.87 F10 (0.52) SIGMAR1ITGB3ITGA2BF10F2
SCHEMBL8948665 0.87 F10 (0.52) SIGMAR1ITGB3ITGA2BF10F2
SCHEMBL8316400 0.86 ITGB3 (0.50) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8312652 0.85 ITGB3 (0.53) SIGMAR1ITGB3ITGA2BF10F2
SCHEMBL8948664 0.85 SIGMAR1 (0.45) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8316462 0.84 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8310660 0.84 GRM2 (0.51) SIGMAR1GRM2
SCHEMBL8310904 0.84 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8312579 0.84 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10GRM2

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