SCHEMBL5408243

SCHEMBL5408243

NC(=O)C(C(=O)NCCN1CCc2cc(F)ccc21)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.53
CTSL P07711 9/20 0.49
CTSK P43235 4/20 0.49
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
NPY5R Q15761 1/20 0.41
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL6691416 1.00 CTSS (0.53) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL5359602 0.82 CTSS (0.62) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL3024690 0.82 CTSS (0.62) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL3014808 0.82 CTSS (0.63) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL3014805 0.82 CTSS (0.63) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL5362588 0.80 CTSS (0.63) CTSSCTSLCTSK
SCHEMBL5362596 0.78 CTSS (0.52) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL4798807 0.77 CTSS (0.70) CTSSCTSLCTSK
SCHEMBL4798799 0.77 CTSS (0.70) CTSSCTSLCTSK
SCHEMBL4800580 0.76 CTSS (0.63) CTSSCTSLCTSKNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP claimed
JP-2007502836-A 2007-02-15 JP claimed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP claimed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO claimed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO disclosed