SCHEMBL5592722

SCHEMBL5592722

CCCN(CCC)CCCN1CCN(Cc2cccc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.57
CTSS P25774 2/20 0.57
CTSK P43235 2/20 0.57
CTSB P07858 1/20 0.57
DRD2 P14416 6/20 0.34
HTR1A P08908 5/20 0.34
HTR2A P28223 5/20 0.34
DRD4 P21917 1/20 0.34
ACKR3 P25106 1/20 0.34
CACNA1G O43497 2/20 0.34
HDAC1 Q13547 1/20 0.34
WNT1 P04628 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
DRD3 P35462 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PTGER1 P34995 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL5592638 0.96 CTSL (0.57) CTSLCTSSCTSKCTSBDRD2
SCHEMBL5592907 0.93 CTSL (0.61) CTSLCTSSCTSKCTSBDRD4
SCHEMBL8243570 0.92 CTSL (0.67) CTSLCTSSCTSKCTSBHDAC1
SCHEMBL5592917 0.92 CTSL (0.58) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592751 0.91 CTSL (0.59) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592666 0.90 CTSL (0.61) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592870 0.90 CTSL (0.61) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592654 0.89 CTSL (0.61) CTSLCTSSCTSKCTSBDRD4
SCHEMBL5592895 0.88 CTSL (0.60) CTSLCTSSCTSKCTSBACKR3
Trifluoroacetic Acid SCHEMBL5592808 0.88 CTSL (0.56) 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 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