SCHEMBL4690284

SCHEMBL4690284

CC(C)CC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.79
CTSL P07711 18/20 0.79
CTSS P25774 14/20 0.79
CTSB P07858 7/20 0.79
CTSV O60911 2/20 0.66

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
SCHEMBL4791582 0.88 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445941 0.86 CTSK (0.96) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7478030 0.82 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4685643 0.82 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4689766 0.82 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7427335 0.81 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5971184 0.81 CTSK (0.83) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4793135 0.81 CTSK (0.83) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7426487 0.81 CTSK (0.79) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4688781 0.80 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