SCHEMBL15327152

SCHEMBL15327152

N#CC1(NC(=O)O[C@H]2C[C@@H](S(=O)(=O)c3ccc(-n4cccn4)cc3Cl)CN2C(=O)C2(C(F)(F)F)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.66

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
SCHEMBL15327265 1.00 CTSS (0.66) CTSS
SCHEMBL696288 0.89 CTSS (0.82) CTSS
SCHEMBL697073 0.89 CTSS (0.82) CTSS
SCHEMBL15327642 0.89 CTSS (0.54) CTSS
SCHEMBL15327461 0.87 CTSL (0.58) CTSS
SCHEMBL15327208 0.86 CTSS (0.64) CTSS
SCHEMBL15327621 0.86 CTSS (0.62) CTSS
SCHEMBL15327336 0.86 CTSS (0.50) CTSS
SCHEMBL15327474 0.86 CTSS (0.50) CTSS
SCHEMBL15327379 0.85 CTSS (0.61) 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