SCHEMBL5404869

SCHEMBL5404869

NC(=O)C(C(=O)NCCNc1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.48
CTSL P07711 8/20 0.46
EPHX1 P07099 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CTSK P43235 2/20 0.43
HPN P05981 1/20 0.42
HTR2B P41595 1/20 0.42
MC3R P41968 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
SCHEMBL6686849 1.00 CTSS (0.48) CTSSCTSLEPHX1NPC1RAB9A
SCHEMBL5499131 0.86 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6686843 0.85 CTSS (0.45) CTSSCTSLEPHX1NPC1RAB9A
SCHEMBL6685642 0.84 CTSS (0.54) CTSSCTSLEPHX1CTSK
SCHEMBL6686917 0.84 CTSS (0.54) CTSSCTSLEPHX1CTSK
SCHEMBL5844661 0.82 CTSS (0.50) CTSSCTSLEPHX1NPC1RAB9A
SCHEMBL6693994 0.81 CTSS (0.42) CTSSCTSLEPHX1NPC1RAB9A
SCHEMBL3017458 0.78 CTSS (0.59) CTSSCTSLCTSKMC3R
SCHEMBL6685640 0.75 TSHR (0.46) EPHX1
SCHEMBL6692653 0.74 CTSS (0.43) CTSSCTSLEPHX1CTSK

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