SCHEMBL15327262

SCHEMBL15327262

N#CC1(NC(=O)O[C@H]2C[C@@H](S(=O)(=O)c3ccc(-n4cnc5cnccc54)cc3Cl)CN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.52
CTSS P25774 17/20 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
SCHEMBL696570 0.91 CTSL (0.65) CTSLCTSSCTSK
SCHEMBL15327317 0.86 CTSL (0.56) CTSLCTSSCTSK
SCHEMBL15327480 0.85 CTSL (0.57) CTSLCTSSCTSK
SCHEMBL15327591 0.85 CTSL (0.66) CTSLCTSSCTSK
SCHEMBL15327466 0.84 CTSL (0.53) CTSLCTSSCTSK
SCHEMBL15327468 0.84 CTSL (0.59) CTSLCTSSCTSK
SCHEMBL15327461 0.83 CTSL (0.58) CTSLCTSSCTSK
SCHEMBL15327330 0.82 CTSS (0.48) CTSLCTSSCTSK
SCHEMBL3055941 0.82 CTSL (0.48) CTSLCTSSCTSK
SCHEMBL15327421 0.82 CTSL (0.65) CTSLCTSSCTSK

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