SCHEMBL6464780

SCHEMBL6464780

CCN(C(=O)c1coc(C(=O)C(CCc2ccccc2)NC(=O)C(CC(C)C)NC(=O)O)n1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
DAGLA Q9Y4D2 1/20 0.40
MMP3 P08254 4/20 0.39
PSMB5 P28074 9/20 0.39
MMP2 P08253 4/20 0.39
TMPRSS11D O60235 2/20 0.39
CTRL P40313 2/20 0.39
PSMB2 P49721 3/20 0.38
PSMB1 P20618 2/20 0.38
PSMB8 P28062 2/20 0.38
PSMB10 P40306 2/20 0.38
PSMB11 A5LHX3 1/20 0.37
PSMD11 O00231 1/20 0.37
PSMD12 O00232 1/20 0.37
PSMD14 O00487 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMD3 O43242 1/20 0.37

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
SCHEMBL6064391 0.91 CTSL (0.49) CTSBCTSLCTSSCTSK
SCHEMBL6466253 0.84 TMPRSS11D (0.38) CTSLCTSSMMP3PSMB5MMP2
SCHEMBL6464784 0.83 ANPEP (0.48) CTSBCTSLCTSSCTSKMMP3
SCHEMBL6464783 0.83 MMP9 (0.44) CTSBCTSLCTSSCTSKMMP3
SCHEMBL6466271 0.83 MMP9 (0.44) CTSBCTSLCTSSCTSKMMP3
SCHEMBL6466269 0.83 MMP9 (0.44) CTSBCTSLCTSSCTSKMMP3
SCHEMBL6477967 0.81 MMP3 (0.44) CTSBCTSLCTSSCTSKDAGLA
SCHEMBL6062904 0.81 CTSL (0.50) CTSBCTSLCTSSCTSK
SCHEMBL6063413 0.78 CTSL (0.50) CTSBCTSLCTSSCTSK
SCHEMBL6063868 0.77 PSMB5 (0.44) CTSBCTSLCTSSCTSKDAGLA

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed