SCHEMBL7066510

SCHEMBL7066510

COc1cc(C(C)=O)ccc1OCC1CN(c2ccc(C(=N)N)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.49
ITGB3 P05106 9/20 0.49
PRSS2 P07478 9/20 0.49
ITGA2B P08514 9/20 0.49
PRSS3 P35030 9/20 0.49
F10 P00742 6/20 0.49
F2 P00734 1/20 0.48
GRM2 Q14416 6/20 0.46
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL7068806 0.91 GRM2 (0.48) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL7064662 0.91 ITGB3 (0.48) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL7067394 0.84 GRM2 (0.57) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL7065859 0.83 ITGB3 (0.48) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL7067396 0.83 GRM2 (0.53) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL7067589 0.83 ITGB3 (0.47) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL7067610 0.82 GRM2 (0.47) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL8137355 0.81 ITGB3 (0.49) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL7069257 0.80 GRM2 (0.61) PRSS1ITGB3PRSS2ITGA2BPRSS3
SCHEMBL8147135 0.80 ITGB3 (0.49) PRSS1ITGB3PRSS2ITGA2BPRSS3

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