SCHEMBL6634585

SCHEMBL6634585

CC(C)C[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)NC1CCCN(S(C)(=O)=O)CC1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.68
CTSL P07711 13/20 0.68
CTSS P25774 13/20 0.68
CTSB P07858 5/20 0.68
CTSV O60911 2/20 0.56
GRN P28799 1/20 0.53
SORT1 Q99523 1/20 0.53

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
SCHEMBL6634576 1.00 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6634580 1.00 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096727 0.90 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096722 0.90 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105812 0.90 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105816 0.90 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5106162 0.89 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4902704 0.89 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5106007 0.88 CTSK (0.63) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7179012 0.88 CTSK (0.63) CTSKCTSLCTSSCTSBCTSV

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
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed