SCHEMBL6213962

SCHEMBL6213962

CCCC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C1=NC=CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.41
MALT1 Q9UDY8 1/20 0.34
CTSL P07711 3/20 0.33
CTSS P25774 3/20 0.33
CTSV O60911 2/20 0.33
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL6210782 0.89 CTSK (0.42) CTSKCTSLCTSSCTSV
SCHEMBL6212810 0.87 CTSK (0.40) CTSKCTSLCTSSCTSV
SCHEMBL6213828 0.85 CTSK (0.57) CTSKCTSLCTSS
SCHEMBL4041432 0.83 CTSK (0.44) CTSKCTSLCTSSCTSV
SCHEMBL4044478 0.82 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL6212234 0.82 CTSK (0.51) CTSKCTSLCTSSCTSV
SCHEMBL4042168 0.82 CTSK (0.42) CTSKCTSLCTSSCTSV
SCHEMBL4046473 0.81 CTSK (0.43) CTSKCTSLCTSSCTSV
SCHEMBL6210372 0.80 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL6210043 0.80 CTSK (0.51) CTSKCTSLCTSSCTSV

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