SCHEMBL8334385

SCHEMBL8334385

C/C(=N\C(=O)C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NC(=O)OC(C)(C)C)C1=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CTSK P43235 3/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSD P07339 1/20 0.34
CTSS P25774 1/20 0.34
F10 P00742 10/20 0.34
F2 P00734 2/20 0.34
KLKB1 P03952 2/20 0.34
ELANE P08246 1/20 0.34
PLAT P00750 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4702614 0.87 F10 (0.37) F10F2KLKB1ELANEPLAT
SCHEMBL4702621 0.87 F10 (0.37) F10F2KLKB1ELANEPLAT
SCHEMBL4704572 0.85 GAA (0.39) GAACTSKCTSLCTSBCTSD
SCHEMBL8336602 0.81 GAA (0.38) GAACTSKCTSLCTSBCTSD
SCHEMBL8334904 0.81 GAA (0.38) GAACTSKCTSLCTSBCTSD
SCHEMBL8334598 0.80 GAA (0.40) GAACTSKCTSLCTSBCTSD
SCHEMBL4706424 0.73 F10 (0.70) F10F2KLKB1PLAT
SCHEMBL4706427 0.73 F10 (0.70) F10F2KLKB1PLAT
SCHEMBL6564079 0.70 GAA (0.40) GAACTSKF10F2TSHR
SCHEMBL4705673 0.70 F10 (0.40) F10F2KLKB1ELANEPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 WO disclosed