SCHEMBL4760918

SCHEMBL4760918

CC(C)CC(C(=O)NC1(C#N)CC1)c1cccc(-c2ccc(N3CCN(C(C)(C)C)CC3)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.79
CTSS P25774 15/20 0.75
CTSL P07711 14/20 0.75
CTSB P07858 13/20 0.75

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
SCHEMBL4761353 0.88 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4760608 0.87 CTSK (0.77) CTSKCTSSCTSLCTSB
SCHEMBL4716044 0.86 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4716442 0.82 CTSK (0.76) CTSKCTSSCTSLCTSB
SCHEMBL4760896 0.77 CTSK (0.72) CTSKCTSSCTSLCTSB
SCHEMBL4712362 0.76 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4713519 0.76 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4714700 0.75 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4715902 0.75 CTSK (0.84) CTSKCTSSCTSLCTSB
SCHEMBL4760512 0.75 CTSK (0.78) CTSKCTSSCTSLCTSB

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-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed