SCHEMBL4689766

SCHEMBL4689766

CC(C)CC(NC(=O)Oc1cc2sccc2s1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.62
CTSL P07711 17/20 0.62
CTSS P25774 13/20 0.62
CTSB P07858 6/20 0.62
CTSV O60911 1/20 0.62

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
SCHEMBL7005154 0.89 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14345781 0.89 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686506 0.85 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4690284 0.82 CTSK (0.79) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7488463 0.81 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4685643 0.80 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045875 0.80 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6604892 0.80 CTSK (0.71) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7451420 0.79 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4688781 0.79 CTSK (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed