SCHEMBL13784246

SCHEMBL13784246

Cc1ccc2oc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]3C[C@H](C)CN(S(=O)(=O)c4ccccn4)CC3O)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.68
CTSL P07711 14/20 0.68
CTSS P25774 11/20 0.68
CTSB P07858 5/20 0.59
CTSV O60911 2/20 0.58

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
SCHEMBL6837024 0.91 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7012115 0.91 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6841551 0.83 CTSL (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6837074 0.83 CTSL (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131739 0.83 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7449693 0.82 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842084 0.82 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6841339 0.82 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842321 0.81 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6836911 0.81 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed