SCHEMBL7467481

SCHEMBL7467481

NC(=NO)c1ccc(N2CC(C(=O)O)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
F10 P00742 5/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
GRM2 Q14416 4/20 0.37
F2 P00734 1/20 0.37
FADS1 O60427 1/20 0.34

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
SCHEMBL7466423 0.84 ITGB3 (0.51) MAOAITGB3ITGA2BF10PRSS1
SCHEMBL4669144 0.82 L3MBTL1 (0.48) MAOAITGB3ITGA2BF10PRSS1
SCHEMBL4669143 0.82 L3MBTL1 (0.48) MAOAITGB3ITGA2BF10PRSS1
SCHEMBL7462745 0.81 ITGB3 (0.39) MAOAITGB3ITGA2BF10PRSS1
SCHEMBL2322579 0.78 GRM2 (0.54) F10GRM2FADS1
SCHEMBL4670666 0.78 GRM2 (0.54) F10GRM2FADS1
SCHEMBL4669702 0.78 GRM2 (0.54) F10GRM2FADS1
SCHEMBL7460584 0.77 GRM2 (0.52) MAOAGRM2FADS1
SCHEMBL7461978 0.77 MAOA (0.44) MAOAITGB3ITGA2BF10PRSS1
SCHEMBL8894588 0.77 ITGB3 (0.42) ITGB3ITGA2BF10PRSS1PRSS2

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 claimed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US claimed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed