SCHEMBL4765723

SCHEMBL4765723

O=C(NC(Cc1ccccc1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1)c1cccc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.45
CTSL P07711 6/20 0.45
CTSK P43235 5/20 0.45
CTSB P07858 3/20 0.41
KCNA5 P22460 1/20 0.36
ITGAV P06756 1/20 0.35
ITGB6 P18564 1/20 0.35
CAPN1 P07384 8/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PREP P48147 1/20 0.33

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
SCHEMBL4771026 0.93 CTSL (0.49) CTSSCTSLCTSKCTSBKCNA5
SCHEMBL4770318 0.93 CTSL (0.47) CTSSCTSLCTSKCTSBKCNA5
SCHEMBL4896763 0.86 CTSL (0.56) CTSSCTSLCTSKCTSB
SCHEMBL4763182 0.86 CTSK (0.45) CTSSCTSLCTSKCTSB
SCHEMBL5971256 0.85 CTSK (0.55) CTSSCTSLCTSKCTSB
SCHEMBL4770696 0.80 CTSL (0.47) CTSSCTSLCTSKCTSBPREP
SCHEMBL6593286 0.78 CTSK (0.48) CTSSCTSLCTSKCTSB
SCHEMBL6206715 0.77 CTSK (0.51) CTSSCTSLCTSKCTSB
SCHEMBL7006426 0.77 CTSK (0.53) CTSSCTSLCTSK
SCHEMBL4762204 0.77 CTSK (0.45) CTSSCTSLCTSKCTSBPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed