SCHEMBL15327331

SCHEMBL15327331

N#CC1(NC(=O)O[C@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)CN2c2ccnc(C(F)(F)F)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.68

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
SCHEMBL15988270 0.93 CTSS (0.78) CTSS
SCHEMBL696230 0.88 CTSS (0.87) CTSS
SCHEMBL15327600 0.88 CTSS (0.60) CTSS
SCHEMBL15327542 0.87 CTSS (0.59) CTSS
SCHEMBL15327551 0.87 CTSS (0.59) CTSS
SCHEMBL15327662 0.85 CTSS (0.58) CTSS
SCHEMBL15327568 0.83 CTSS (0.54) CTSS
SCHEMBL15327175 0.83 CTSS (0.56) CTSS
SCHEMBL15327161 0.83 CTSS (0.55) CTSS
SCHEMBL15327503 0.82 CTSS (0.54) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed