SCHEMBL7930425

SCHEMBL7930425

CC(C)C[C@H](NC(=O)c1ccc(-c2nc(N3CCN(C)CC3)sc2F)cc1)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 11/20 0.88
CTSL P07711 9/20 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
SCHEMBL16485886 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL1146979 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL15241284 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL21137232 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL11925963 0.94 CTSK (1.00) CTSKCTSSCTSL
SCHEMBL1146793 0.92 CTSK (0.85) CTSKCTSSCTSL
SCHEMBL7923538 0.90 CTSK (0.82) CTSKCTSSCTSL
SCHEMBL8102923 0.90 CTSK (0.82) CTSKCTSSCTSL
SCHEMBL1169717 0.90 CTSK (0.82) CTSKCTSSCTSL
SCHEMBL1147055 0.89 CTSK (0.90) 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