SCHEMBL6466253

SCHEMBL6466253

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 3/20 0.38
CTRL P40313 3/20 0.38
REN P00797 1/20 0.38
PSMB5 P28074 6/20 0.36
PSMB2 P49721 2/20 0.36
PSMB1 P20618 1/20 0.36
MMP3 P08254 3/20 0.36
MMP2 P08253 2/20 0.36
CPA1 P15085 1/20 0.36
CPA2 P48052 1/20 0.36
CPA4 Q9UI42 1/20 0.36
CTSS P25774 2/20 0.36
ANPEP P15144 1/20 0.36
PSMB8 P28062 1/20 0.35
PSMB10 P40306 1/20 0.35
CTSD P07339 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL7046085 0.91 CTSL (0.47) PSMB1CTSSCTSL
SCHEMBL6464780 0.84 CTSB (0.42) TMPRSS11DCTRLPSMB5PSMB2PSMB1
SCHEMBL6466258 0.83 ANPEP (0.46) TMPRSS11DCTRLPSMB5PSMB2PSMB1
SCHEMBL6467305 0.83 MMP9 (0.44) TMPRSS11DCTRLRENPSMB5PSMB2
SCHEMBL6467310 0.83 MMP9 (0.44) TMPRSS11DCTRLRENPSMB5PSMB2
SCHEMBL6466256 0.83 MMP9 (0.44) TMPRSS11DCTRLRENPSMB5PSMB2
SCHEMBL6062791 0.78 CTSL (0.54) PSMB1CTSSCTSL
SCHEMBL7046608 0.78 CTSL (0.49) PSMB1CTSSCTSL
SCHEMBL6466880 0.78 PSMB2 (0.45) TMPRSS11DCTRLPSMB5PSMB2PSMB1
SCHEMBL6465769 0.76 ALDH1A1 (0.39) RENPSMB5PSMB2CTSSPSMB8

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