SCHEMBL7068474

SCHEMBL7068474

CC(=O)N1CCN(c2ccc(OCC3CN(c4ccc(C(=N)N)cc4)C(=O)O3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.54
ITGA2B P08514 11/20 0.54
PRSS1 P07477 9/20 0.54
PRSS2 P07478 9/20 0.54
PRSS3 P35030 9/20 0.54
F10 P00742 6/20 0.54
F2 P00734 1/20 0.52
GRM2 Q14416 8/20 0.51
LMNA P02545 1/20 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
SCHEMBL7386950 0.88 GRM2 (0.63) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7386353 0.85 GRM2 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7068866 0.85 GRM2 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7069287 0.84 GRM2 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7068512 0.83 GRM2 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8151677 0.82 GRM2 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7064599 0.81 GRM2 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7069153 0.81 GRM2 (0.67) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8148161 0.81 GRM2 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7066036 0.81 GRM2 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3

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