SCHEMBL4428152

SCHEMBL4428152

CN(C)CCCn1cnc2c(N(C3CCCC3)N(C(=O)O)C(C)(C)C)nc(C#N)nc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.40
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 4/20 0.40

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
SCHEMBL4429532 0.95 CTSL (0.43) CTSLCTSSCTSKCTSB
SCHEMBL4428147 0.86 CTSL (0.40) CTSLCTSSCTSKCTSB
Trifluoroacetic Acid SCHEMBL3918879 0.84 CTSL (0.37) CTSLCTSSCTSKCTSB
Trifluoroacetic Acid SCHEMBL3319445 0.82 CTSL (0.41) CTSLCTSSCTSKCTSB
SCHEMBL3317262 0.82 CTSL (0.43) CTSLCTSSCTSKCTSB
SCHEMBL3322743 0.81 CTSS (0.40) CTSLCTSSCTSKCTSB
SCHEMBL8138108 0.81 CTSL (0.47) CTSLCTSSCTSKCTSB
SCHEMBL4429530 0.81 CTSL (0.42) CTSLCTSSCTSKCTSB
SCHEMBL3319092 0.80 CTSL (0.48) CTSLCTSSCTSKCTSB
Trifluoroacetic Acid SCHEMBL3322739 0.80 CTSL (0.40) CTSLCTSSCTSKCTSB

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
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed