SCHEMBL4765235

SCHEMBL4765235

CC(C[CH]C(=O)N(CCc1cccc(-c2ccccn2)c1)[C@H]1CCCNCC1=O)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.34
HCRTR2 O43614 6/20 0.34
CTSL P07711 3/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
CHEK1 O14757 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 1/20 0.32
TGFBR1 P36897 1/20 0.31
CTSK P43235 3/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4765103 0.87 HCRTR1 (0.34) HCRTR1HCRTR2CTSLCTSBCTSS
SCHEMBL6588230 0.86 CHEK1 (0.36) HCRTR1HCRTR2CTSLCTSBCTSS
SCHEMBL4766714 0.80 GHSR (0.37)
SCHEMBL4936544 0.80 GHSR (0.37)
SCHEMBL6593952 0.76 SLC6A2 (0.31)
SCHEMBL6589085 0.76 HCRTR1 (0.33) HCRTR1HCRTR2CTSLCTSBCTSS
SCHEMBL6591064 0.74
SCHEMBL4762955 0.74 PSEN1 (0.32)
SCHEMBL6590687 0.74 CXCR4 (0.32)
SCHEMBL6595133 0.74 CCR2 (0.30)

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 9 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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 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
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 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