SCHEMBL7461978

SCHEMBL7461978

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
GRM2 Q14416 7/20 0.43
F10 P00742 3/20 0.40
F2 P00734 1/20 0.39
ITGB3 P05106 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
ITGA2B P08514 1/20 0.39
PRSS3 P35030 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
SCHEMBL7461829 0.83 ITGB3 (0.45) MAOAF10F2ITGB3PRSS1
SCHEMBL2322579 0.82 GRM2 (0.54) GRM2F10
SCHEMBL4670666 0.82 GRM2 (0.54) GRM2F10
SCHEMBL4669702 0.82 GRM2 (0.54) GRM2F10
SCHEMBL7458396 0.81 GRM2 (0.43) MAOAGRM2
SCHEMBL7457894 0.80 MAOA (0.36) MAOAGRM2F10F2ITGB3
SCHEMBL7461984 0.80 GRM2 (0.41) GRM2F10F2ITGB3PRSS1
SCHEMBL4669143 0.79 L3MBTL1 (0.48) MAOAGRM2F10F2ITGB3
SCHEMBL4669144 0.79 L3MBTL1 (0.48) MAOAGRM2F10F2ITGB3
SCHEMBL7466423 0.79 ITGB3 (0.51) MAOAF10F2ITGB3PRSS1

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