SCHEMBL4768775

SCHEMBL4768775

CC(C)CC(NC(=O)c1cnc2ccccc2n1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)C1=NC=CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
CCR1 P32246 10/20 0.39
PSMB5 P28074 1/20 0.37
CTSK P43235 4/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CNR2 P34972 1/20 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
SCHEMBL6634574 0.87 GRN (0.52) GRNSORT1CCR1PSMB5CTSK
SCHEMBL4763062 0.86 GRN (0.47) GRNSORT1CCR1PSMB5CTSK
SCHEMBL4761986 0.85 GRN (0.47) GRNSORT1CCR1PSMB5CTSK
SCHEMBL6588637 0.85 GRN (0.47) GRNSORT1CCR1PSMB5CTSK
SCHEMBL4770999 0.85 GRN (0.47) GRNSORT1CCR1PSMB5CTSK
SCHEMBL4765859 0.85 GRN (0.47) GRNSORT1CCR1PSMB5CTSK
SCHEMBL6588642 0.85 GRN (0.47) GRNSORT1CCR1PSMB5CTSK
SCHEMBL4767092 0.85 CTSK (0.44) CTSKCTSBCTSS
SCHEMBL4765376 0.84 CTSK (0.31) CTSKCTSLCTSBCTSS
SCHEMBL6590376 0.84 GRN (0.45) GRNSORT1CCR1PSMB5CTSK

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-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
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed