SCHEMBL6232347

SCHEMBL6232347

CC(C)(C)CC(NC(=O)c1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.51
CTSL P07711 16/20 0.51
CTSS P25774 15/20 0.51
CTSV O60911 1/20 0.40
CTSB P07858 1/20 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
SCHEMBL4047540 0.88 CTSK (0.47) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4042837 0.82 CTSK (0.56) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4041948 0.81 CTSK (0.67) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6213754 0.81 CTSK (0.40) CTSKCTSLCTSSCTSV
SCHEMBL4046656 0.81 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4038870 0.81 CTSK (0.45) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4041220 0.81 CTSK (0.45) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4043276 0.81 CTSK (0.56) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4044395 0.80 CTSK (0.46) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4043679 0.80 CTSK (0.46) CTSKCTSLCTSSCTSVCTSB

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