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SCHEMBL15327481

SCHEMBL15327481

N#CC1(NC(=O)O[C@H]2C[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)CN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 19/20 0.64
▸ CTSS P25774 17/20 0.64
▸ CTSK P43235 3/20 0.51
▸ CTSB P07858 1/20 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
SCHEMBL15327316 0.99 CTSL (0.65) CTSLCTSSCTSKCTSB
SCHEMBL15327476 0.98 CTSL (0.65) CTSLCTSSCTSKCTSB
SCHEMBL15327189 0.97 CTSL (0.68) CTSLCTSSCTSKCTSB
SCHEMBL15327273 0.95 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL15327515 0.92 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327283 0.92 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327381 0.92 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327549 0.92 CTSL (0.63) CTSLCTSSCTSK
SCHEMBL15327546 0.91 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327315 0.91 CTSL (0.64) 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