SCHEMBL5592735

SCHEMBL5592735

CC(C)CNN(C(=O)c1ccc(CN2CCN(CCCN(C)C)CC2)cc1)c1nc(C#N)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
CTSK P43235 4/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
UTS2R Q9UKP6 7/20 0.35
TBK1 Q9UHD2 2/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
AXL P30530 1/20 0.34
MELK Q14680 1/20 0.33
IKBKE Q14164 1/20 0.33
ABL1 P00519 2/20 0.33
MCHR1 Q99705 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
SCHEMBL5592716 0.90 CTSS (0.46) CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592691 0.88 CTSS (0.49) CTSSCTSKCTSLCTSBTBK1
Trifluoroacetic Acid SCHEMBL5592645 0.86 CTSS (0.47) CTSSCTSKCTSLCTSBTBK1
Trifluoroacetic Acid SCHEMBL5592759 0.86 CTSL (0.47) CTSSCTSKCTSLCTSBTBK1
Trifluoroacetic Acid SCHEMBL5592864 0.85 CTSS (0.47) CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592894 0.83 CTSL (0.45) CTSSCTSKCTSLCTSB
SCHEMBL5592660 0.83 CTSS (0.49) CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592632 0.82 CTSL (0.45) CTSSCTSKCTSLCTSBMELK
SCHEMBL5593180 0.82 CTSL (0.45) CTSSCTSKCTSLCTSB
SCHEMBL5592732 0.82 CTSL (0.45) CTSSCTSKCTSLCTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO claimed