SCHEMBL15327482

SCHEMBL15327482

Cc1cc(N2C[C@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3C(F)(F)F)C[C@@H]2OC(=O)NC2(C#N)CC2)n(C2CCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.48
CTSL P07711 12/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 2/20 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
SCHEMBL15327133 1.00 CTSS (0.48) CTSSCTSLCTSBCTSK
SCHEMBL15327207 0.94 CTSS (0.53) CTSSCTSLCTSBCTSK
SCHEMBL696411 0.91 CTSS (0.54) CTSSCTSLCTSBCTSK
SCHEMBL696153 0.91 CTSS (0.54) CTSSCTSLCTSBCTSK
SCHEMBL15327581 0.90 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL15327398 0.89 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL15327517 0.89 CTSS (0.46) CTSSCTSL
SCHEMBL15327569 0.89 CTSS (0.46) CTSSCTSL
SCHEMBL15327435 0.88 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL15327552 0.88 CTSS (0.47) CTSSCTSL

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