SCHEMBL6209147

SCHEMBL6209147

Cc1c(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.50
CTSL P07711 17/20 0.50
CTSS P25774 13/20 0.50
CTSB P07858 4/20 0.50
CTSV O60911 2/20 0.50

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
SCHEMBL4048016 0.88 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6237263 0.85 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041741 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043599 0.82 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045326 0.82 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6239332 0.82 PREP (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6837057 0.82 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784217 0.82 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5942049 0.81 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041948 0.81 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV

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