SCHEMBL5592870

SCHEMBL5592870

CC(C)CN(NC(=O)c1cccc(CN2CCN(CCO)CC2)c1)c1nc(C#N)ncc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
CTSB P07858 1/20 0.61
DRD4 P21917 1/20 0.37
ACKR3 P25106 3/20 0.37
ITK Q08881 1/20 0.36
WNT1 P04628 3/20 0.36
GSK3B P49841 3/20 0.36
DYRK1A Q13627 3/20 0.36
SRC P12931 1/20 0.35
HDAC1 Q13547 1/20 0.35
RORC P51449 1/20 0.35
PTGER1 P34995 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5592907 0.94 CTSL (0.61) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592666 0.94 CTSL (0.61) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592654 0.93 CTSL (0.61) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592895 0.92 CTSL (0.60) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592751 0.92 CTSL (0.59) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5593161 0.92 CTSL (0.60) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592944 0.91 CTSL (0.73) CTSLCTSSCTSKCTSBSRC
SCHEMBL5592917 0.91 CTSL (0.58) CTSLCTSSCTSKCTSBDRD4
SCHEMBL8244881 0.90 CTSL (0.58) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592722 0.90 CTSL (0.57) CTSLCTSSCTSKCTSBDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
WO-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed