SCHEMBL8115969

SCHEMBL8115969

N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCC(c3ccccn3)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 19/20 0.61
▸ CTSB P07858 15/20 0.61
▸ CTSS P25774 11/20 0.61
▸ KCNH2 Q12809 3/20 0.56
▸ USP30 Q70CQ3 1/20 0.50

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
SCHEMBL8105988 0.85 CTSK (0.69) CTSKCTSBCTSSKCNH2
SCHEMBL8109815 0.85 CTSK (0.69) CTSKCTSBCTSSKCNH2
SCHEMBL8110155 0.83 CTSK (0.58) CTSKCTSBCTSSKCNH2
SCHEMBL8096763 0.82 CTSK (0.62) CTSKCTSBCTSSKCNH2
SCHEMBL8105816 0.82 CTSK (0.62) CTSKCTSBCTSSKCNH2
SCHEMBL8111646 0.79 CTSK (0.58) CTSKCTSBCTSSKCNH2
SCHEMBL8111751 0.78 CTSK (0.57) CTSKCTSBCTSSKCNH2
SCHEMBL8114117 0.78 CTSK (0.60) CTSKCTSBCTSSKCNH2
SCHEMBL8111663 0.77 CTSK (0.69) CTSKCTSBCTSSKCNH2
SCHEMBL4757161 0.77 CTSK (0.69) CTSKCTSBCTSSKCNH2

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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