SCHEMBL15327240

SCHEMBL15327240

CS(=O)(=O)[C@@H]1C[C@H](OC(=O)NC2(C#N)CC2)N(C(=O)C2(C(F)(F)F)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.48

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
SCHEMBL15327162 0.87 CTSS (0.45) CTSS
SCHEMBL696103 0.82 CTSS (0.63) CTSS
SCHEMBL15327392 0.81 CTSS (0.59) CTSS
SCHEMBL15327208 0.80 CTSS (0.64) CTSS
SCHEMBL15327275 0.80 CTSS (0.61) CTSS
SCHEMBL15327401 0.80 CTSS (0.59) CTSS
SCHEMBL15327224 0.78 CTSS (0.61) CTSS
SCHEMBL15327388 0.78 CTSL (0.58) CTSS
SCHEMBL15327535 0.77 CTSS (0.64) CTSS
SCHEMBL15327170 0.77 CTSS (0.64) 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