SCHEMBL5593202

SCHEMBL5593202

CC(C)CN(NC(=O)c1cccc(CN2CCC(N3CCCCC3)CC2)c1)c1nc(C#N)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
CTSB P07858 1/20 0.54
CXCR3 P49682 8/20 0.41
ACKR3 P25106 4/20 0.39
CCR3 P51677 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PTGER1 P34995 1/20 0.37

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
SCHEMBL8236804 0.94 CTSS (0.61) CTSLCTSSCTSKCTSBCXCR3
SCHEMBL5593161 0.93 CTSL (0.60) CTSLCTSSCTSKCTSBACKR3
SCHEMBL8238304 0.92 CTSK (0.64) CTSLCTSSCTSKCTSBCXCR3
SCHEMBL5592895 0.92 CTSL (0.60) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592654 0.90 CTSL (0.61) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592721 0.89 CTSL (0.56) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592666 0.89 CTSL (0.61) CTSLCTSSCTSKCTSBACKR3
Trifluoroacetic Acid SCHEMBL5593236 0.89 CTSL (0.49) CTSLCTSSCTSKCTSBCXCR3
SCHEMBL5592751 0.89 CTSL (0.59) CTSLCTSSCTSKCTSBACKR3
SCHEMBL5592862 0.88 CTSL (0.55) CTSLCTSSCTSKCTSBACKR3

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