SCHEMBL6072667

SCHEMBL6072667

Cc1cnc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N([C@H]2CCCNCC2=O)S(=O)(=O)c2ccccn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.41
CTSL P07711 10/20 0.41
CTSS P25774 10/20 0.41
USP30 Q70CQ3 1/20 0.41
LONP1 P36776 3/20 0.34
PSMB11 A5LHX3 2/20 0.34
PSMA7 O14818 2/20 0.34
PSMB1 P20618 2/20 0.34
PSMA1 P25786 2/20 0.34
PSMA2 P25787 2/20 0.34
PSMA3 P25788 2/20 0.34
PSMA4 P25789 2/20 0.34
PSMB8 P28062 2/20 0.34
PSMB9 P28065 2/20 0.34
PSMA5 P28066 2/20 0.34
PSMB4 P28070 2/20 0.34
PSMB6 P28072 2/20 0.34
PSMB5 P28074 2/20 0.34
PSMB10 P40306 2/20 0.34
PSMB3 P49720 2/20 0.34

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
SCHEMBL7006426 0.85 CTSK (0.53) CTSKCTSLCTSSUSP30
SCHEMBL7006137 0.85 CTSL (0.39) CTSKCTSLCTSSUSP30CTSB
SCHEMBL6073049 0.85 CTSK (0.39) CTSKCTSLCTSSUSP30PSMB8
SCHEMBL6072630 0.85 CTSK (0.39) CTSKCTSLCTSSUSP30PSMB10
SCHEMBL6072616 0.85 CTSK (0.40) CTSKCTSLCTSSUSP30CTSB
SCHEMBL6073055 0.85 CTSL (0.42) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7011830 0.85 CTSL (0.40) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7012868 0.85 CTSS (0.40) CTSKCTSLCTSSUSP30PSMB10
SCHEMBL7011520 0.84 CTSS (0.39) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7144672 0.83 CTSL (0.38) CTSKCTSLCTSSUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006505526-A 2006-02-16 JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed