SCHEMBL6258943

SCHEMBL6258943

C[C@@H]1CC[C@H](NC(=O)[CH]C[C@H](C)C(N)=O)C(=O)CN1S(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.40
CTSK P43235 17/20 0.40
CTSS P25774 16/20 0.40
CTSV O60911 1/20 0.39
CTSB P07858 1/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6258945 0.84 CTSL (0.49) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4323803 0.82 CTSK (0.56) CTSLCTSKCTSSCTSVCTSB
SCHEMBL3934291 0.82 CTSK (0.56) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4310381 0.82 CTSK (0.56) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4312947 0.82 CTSK (0.56) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4316425 0.82 CTSK (0.56) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6256603 0.81 CTSK (0.37) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6237786 0.80 CTSL (0.39) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6356868 0.78 CTSK (0.38) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4319020 0.77 CTSK (0.34) CTSLCTSKCTSSCTSVCTSB

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
WO-2005013909-A2 NOVEL CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 WO disclosed