SCHEMBL6258945

SCHEMBL6258945

CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.49
CTSK P43235 20/20 0.49
CTSS P25774 19/20 0.49
CTSB P07858 2/20 0.48
CTSV O60911 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
SCHEMBL6258943 0.84 CTSL (0.40) CTSLCTSKCTSSCTSBCTSV
SCHEMBL3934296 0.81 CTSK (0.69) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4323805 0.81 CTSK (0.69) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4312951 0.81 CTSK (0.69) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4310385 0.81 CTSK (0.69) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4316429 0.81 CTSK (0.69) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6256605 0.81 CTSK (0.46) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6237797 0.79 CTSL (0.43) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6356870 0.77 CTSK (0.48) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4319024 0.76 CTSK (0.45) CTSLCTSKCTSSCTSBCTSV

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