SCHEMBL8243085

SCHEMBL8243085

CCCN1CCN(c2ccc(C(=O)NN(CC(C)(C)C)c3nc(C#N)ncc3Br)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.56
CTSL P07711 7/20 0.56
CTSS P25774 7/20 0.56
CTSB P07858 2/20 0.56
CTSD P07339 1/20 0.41
DRD2 P14416 4/20 0.35
DRD4 P21917 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL8241787 0.90 CTSK (0.69) CTSKCTSLCTSSCTSBHDAC8
SCHEMBL8236640 0.84 CTSL (0.57) CTSKCTSLCTSSCTSBDRD4
SCHEMBL8270735 0.84 CTSK (0.43) CTSKCTSLCTSSCTSBCTSD
SCHEMBL8200798 0.84 CTSK (0.79) CTSKCTSLCTSSCTSBHDAC3
SCHEMBL3180749 0.83 CTSS (0.50) CTSKCTSLCTSSCTSBCTSD
SCHEMBL8245909 0.82 CTSL (0.52) CTSKCTSLCTSSCTSB
SCHEMBL8243959 0.82 CTSK (0.51) CTSKCTSLCTSSCTSBHDAC3
SCHEMBL8238286 0.82 CTSL (0.54) CTSKCTSLCTSSCTSBHDAC3
SCHEMBL8247857 0.81 CTSK (0.57) CTSKCTSLCTSSCTSBDRD4
SCHEMBL8236641 0.81 CTSL (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed