SCHEMBL6210263

SCHEMBL6210263

CCCC(NC(=O)c1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.44
CTSL P07711 14/20 0.44
CTSS P25774 10/20 0.44
CTSB P07858 4/20 0.44
CTSV O60911 2/20 0.44
CHRNB2 P17787 4/20 0.42
CHRNA7 P36544 4/20 0.42
CHRNA4 P43681 4/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4046863 0.90 SMYD3 (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6209230 0.88 CCR1 (0.45) CTSK
SCHEMBL6211183 0.86 CTSK (0.42) CTSKCTSLCTSSCTSBCHRNB2
SCHEMBL6242644 0.85 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040649 0.85 CTSK (0.42) CTSK
SCHEMBL4047844 0.84 SMYD3 (0.35) CTSK
SCHEMBL4045831 0.83 CTSK (0.51) CTSKCTSS
SCHEMBL4041827 0.83 CTSK (0.43) CTSK
SCHEMBL4039411 0.83 CTSK (0.43) CTSK
SCHEMBL4042752 0.83 CTSK (0.52) CTSKCHRNB2CHRNA7CHRNA4

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 claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed