SCHEMBL6254485

SCHEMBL6254485

CC(CC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.50
CTSS P25774 16/20 0.42
CTSL P07711 16/20 0.42
CTSB P07858 2/20 0.40
CTSV O60911 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
SCHEMBL4037568 0.93 CTSK (0.58) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4042123 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4041948 0.87 CTSK (0.67) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4041741 0.85 CTSK (0.56) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4044810 0.85 CTSK (0.53) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4043599 0.84 CTSK (0.55) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4045326 0.84 CTSK (0.55) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4045073 0.84 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL4040417 0.84 CTSK (0.54) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4043276 0.83 CTSK (0.56) CTSKCTSSCTSLCTSBCTSV

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