SCHEMBL7523776

SCHEMBL7523776

NCc1ccc(N2CC(C(=O)N3CCC(OCC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.38
ITGA2B P08514 9/20 0.38
MAOA P21397 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
F10 P00742 2/20 0.33
PTGIR P43119 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL7461834 0.88 MAOA (0.37) ITGB3ITGA2BMAOAF10F2
SCHEMBL7455534 0.86 ITGB3 (0.52) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7461829 0.84 ITGB3 (0.45) ITGB3ITGA2BMAOAF10F2
SCHEMBL8948664 0.82 SIGMAR1 (0.45) ITGB3ITGA2BF10
SCHEMBL7457894 0.81 MAOA (0.36) ITGB3ITGA2BMAOAF10F2
SCHEMBL7467006 0.80 ITGB3 (0.36) ITGB3ITGA2BMAOAF10
SCHEMBL7461978 0.77 MAOA (0.44) ITGB3ITGA2BMAOAF10F2
SCHEMBL8948710 0.76 SIGMAR1 (0.43) ITGB3ITGA2BF10
SCHEMBL7462813 0.76 ITGB3 (0.44) ITGB3ITGA2BF10F2PRSS1
SCHEMBL8948593 0.76 SIGMAR1 (0.41) ITGB3ITGA2BFFAR4F10F2

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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed