SCHEMBL6209883

SCHEMBL6209883

CC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.50
CTSL P07711 10/20 0.42
CTSS P25774 7/20 0.42
CTSB P07858 4/20 0.42
DRD4 P21917 1/20 0.42
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CTSV O60911 2/20 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
SCHEMBL6235462 0.92 CCR1 (0.46) CTSKCTSLCTSSCTSBDRD4
SCHEMBL4042607 0.91 CTSK (0.53) CTSKCTSLCTSSCTSB
SCHEMBL4051552 0.91 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046358 0.90 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043681 0.90 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL4038859 0.89 CTSK (0.53) CTSKCTSLCTSSCTSB
SCHEMBL4039586 0.89 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL4051956 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043273 0.88 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL4041699 0.88 CTSK (0.56) CTSKCTSLCTSSCTSB

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