SCHEMBL7467714

SCHEMBL7467714

CC(C)C[C@H](N)C(=O)NCC(O)CNS(=O)(=O)c1ccccn1.CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(O)CNS(=O)(=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
CTSS P25774 4/20 0.42
CTSB P07858 3/20 0.42
CTSL P07711 2/20 0.41
REN P00797 4/20 0.40
AAK1 Q2M2I8 1/20 0.39
CAPN1 P07384 1/20 0.38
BACE1 P56817 2/20 0.37
PSMB5 P28074 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL6618230 0.95 CTSK (0.47) CTSKCTSSCTSBCTSLREN
SCHEMBL6635507 0.93 CTSK (0.46) CTSKCTSSCTSBCTSLREN
SCHEMBL6622127 0.87 CTSK (0.47) CTSKCTSSCTSBAAK1
SCHEMBL5632090 0.83 L3MBTL1 (0.43) CTSKCTSSCTSB
SCHEMBL19792930 0.80 BCL2 (0.47) CTSKCTSSCTSBCTSLREN
SCHEMBL7468216 0.80 CTSK (0.53) CTSKCTSSCTSBCTSLPSMB5
SCHEMBL7163407 0.77 CTSK (0.47) CTSKCTSSCTSBCTSLREN
SCHEMBL14384115 0.76 L3MBTL1 (0.44) CTSKCTSSCTSB
SCHEMBL14384114 0.76 L3MBTL1 (0.44) CTSKCTSSCTSB
SCHEMBL7412248 0.75 CTSK (0.44) CTSKCTSSCTSBCTSLREN

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-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed