SCHEMBL3264278

SCHEMBL3264278

CCCOc1cccc2c3c([nH]c12)CCN(C(=O)C1CCCCC1(C(N)=O)C1(C#N)CC1)C3

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.48
▸ CTSB P07858 2/20 0.37
▸ CTSS P25774 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
SCHEMBL3264277 0.79 CTSK (0.76) CTSKCTSB
SCHEMBL2243179 0.79 CTSK (0.76) CTSKCTSB
SCHEMBL14563005 0.78 CTSK (0.61) CTSKCTSB
SCHEMBL2249919 0.75 CTSK (0.45) CTSKCTSBCTSS
SCHEMBL2243809 0.73 CTSK (0.78) CTSKCTSB
SCHEMBL14563095 0.72 CTSK (0.63) CTSKCTSB
SCHEMBL2241877 0.72 CTSK (0.74) CTSKCTSB
SCHEMBL14563131 0.71 CTSK (0.60) CTSKCTSB
SCHEMBL4789865 0.71 KEAP1 (0.51) CTSKCTSBCTSS
SCHEMBL4789292 0.71 NAMPT (0.38) CTSKCTSBCTSS

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
EP-2170879-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS AstraZeneca AB (SE) 2010-04-07 — — EP disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 — — WO disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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