SCHEMBL7929661

SCHEMBL7929661

CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)c(F)c1)C(=O)N1C[C@@H](C#N)C2OCC(=O)[C@H]21

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.88
CTSS P25774 10/20 0.88
CTSL P07711 8/20 0.88

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
SCHEMBL11925964 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL18966283 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL18966282 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL1147051 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL15241307 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL1146841 0.92 CTSK (0.85) CTSKCTSSCTSL
SCHEMBL1168959 0.91 CTSK (0.83) CTSKCTSSCTSL
SCHEMBL1169206 0.91 CTSK (0.83) CTSKCTSSCTSL
SCHEMBL1146969 0.89 CTSK (0.81) CTSKCTSSCTSL
SCHEMBL22266819 0.89 CTSK (0.92) CTSKCTSSCTSL

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-2010034789-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-01 WO disclosed