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Sugi Predict / Compounds / SCHEMBL15327552

SCHEMBL15327552

SCHEMBL15327552

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(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.47
▸ CTSL P07711 9/20 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
SCHEMBL694963 0.91 CTSS (0.53) CTSSCTSL
SCHEMBL15327282 0.90 CTSS (0.49) CTSS
SCHEMBL15327289 0.89 CTSS (0.49) CTSSCTSL
SCHEMBL15327517 0.89 CTSS (0.46) CTSSCTSL
SCHEMBL15327569 0.89 CTSS (0.46) CTSSCTSL
SCHEMBL15327482 0.88 CTSS (0.48) CTSSCTSL
SCHEMBL15327133 0.88 CTSS (0.48) CTSSCTSL
SCHEMBL15327543 0.85 CTSS (0.49) CTSSCTSL
SCHEMBL15327556 0.84 CTSS (0.51) CTSSCTSL
SCHEMBL15327361 0.84 CTSS (0.49) 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