SCHEMBL6694626

SCHEMBL6694626

CC(CNC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1)N1CCc2cc(F)ccc21

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.74
CTSL P07711 12/20 0.73
CTSK P43235 4/20 0.62

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
SCHEMBL5364143 0.85 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5364153 0.85 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5360161 0.85 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5360158 0.85 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5356673 0.80 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5356678 0.80 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5372153 0.78 CTSS (0.85) CTSSCTSLCTSK
SCHEMBL5372151 0.78 CTSS (0.85) CTSSCTSLCTSK
SCHEMBL5358217 0.76 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5358220 0.76 CTSS (1.00) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO claimed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO disclosed