SCHEMBL15327263

SCHEMBL15327263

Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@@H]2OC(=O)NC2(C#N)CC2)n(C2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.48
CTSL P07711 4/20 0.45
CTSB P07858 4/20 0.45
CTSK P43235 2/20 0.45

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
SCHEMBL15327377 1.00 CTSS (0.48) CTSSCTSLCTSBCTSK
SCHEMBL15327398 0.98 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL15327299 0.93 CTSS (0.48) CTSSCTSLCTSBCTSK
SCHEMBL15327639 0.93 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL15327595 0.90 CTSS (0.53) CTSSCTSLCTSB
SCHEMBL15327581 0.90 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL15327185 0.89 CTSS (0.48) CTSSCTSLCTSB
SCHEMBL695802 0.89 CTSS (0.59) CTSSCTSLCTSBCTSK
SCHEMBL694348 0.89 CTSS (0.59) CTSSCTSLCTSBCTSK
SCHEMBL15327220 0.89 CTSS (0.52) CTSSCTSLCTSB

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