SCHEMBL6213828

SCHEMBL6213828

CC(C)CC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C1=NC=CCC1=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.57
CTSS P25774 6/20 0.40
CTSL P07711 4/20 0.40

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
SCHEMBL6212234 0.90 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL6214785 0.89 CTSK (0.48) CTSKCTSSCTSL
SCHEMBL6213283 0.88 CTSK (0.61) CTSKCTSSCTSL
SCHEMBL6210372 0.88 CTSK (0.52) CTSKCTSSCTSL
SCHEMBL6211235 0.86 CTSK (0.52) CTSKCTSSCTSL
SCHEMBL6213962 0.85 CTSK (0.41) CTSKCTSSCTSL
SCHEMBL4045771 0.85 CTSK (0.61) CTSKCTSSCTSL
SCHEMBL4037203 0.85 CTSK (0.63) CTSKCTSSCTSL
SCHEMBL4037978 0.83 CTSK (0.59) CTSKCTSSCTSL
SCHEMBL4041514 0.82 CTSK (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed