SCHEMBL7068549

SCHEMBL7068549

N=C(N)c1ccc(N2CC(COc3cccc(N4CCCCC4)c3)OC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.57
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
PRSS1 P07477 4/20 0.47
F10 P00742 3/20 0.47
F2 P00734 1/20 0.47
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46

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
SCHEMBL7387162 0.89 GRM2 (0.59) GRM2ITGB3ITGA2BPRSS1F10
SCHEMBL7068840 0.88 F10 (0.51) GRM2ITGB3ITGA2BPRSS1F10
SCHEMBL7070016 0.87 GRM2 (0.51) GRM2ITGB3ITGA2BPRSS1F10
SCHEMBL7065739 0.85 GRM2 (0.63) GRM2ITGB3ITGA2BPRSS1F10
SCHEMBL7065870 0.85 GRM2 (0.60) GRM2ITGB3ITGA2BPRSS1F10
SCHEMBL7067394 0.85 GRM2 (0.57) GRM2ITGB3ITGA2BPRSS1F10
SCHEMBL7386950 0.84 GRM2 (0.63) GRM2ITGB3ITGA2BPRSS1F10
SCHEMBL7389228 0.84 GRM2 (0.60) GRM2PRSS1
SCHEMBL7068020 0.84 GRM2 (0.75) GRM2
SCHEMBL8361132 0.84 GRM2 (0.58) GRM2ITGB3ITGA2BPRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO claimed
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO disclosed