SCHEMBL8115809

SCHEMBL8115809

N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ccccc4o3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 20/20 0.68
▸ CTSB P07858 19/20 0.68
▸ CTSS P25774 15/20 0.68
▸ KCNH2 Q12809 5/20 0.68

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
SCHEMBL8113821 0.81 CTSB (1.00) CTSKCTSBCTSSKCNH2
SCHEMBL8109625 0.81 CTSK (0.67) CTSKCTSBCTSSKCNH2
SCHEMBL8109515 0.80 CTSB (0.65) CTSKCTSBCTSSKCNH2
SCHEMBL8106379 0.79 CTSK (0.76) CTSKCTSBCTSSKCNH2
SCHEMBL8108208 0.77 CTSB (1.00) CTSKCTSBCTSSKCNH2
SCHEMBL8115758 0.76 CTSK (1.00) CTSKCTSBCTSSKCNH2
SCHEMBL8123357 0.75 CTSK (0.67) CTSKCTSBCTSSKCNH2
SCHEMBL8107285 0.75 CTSB (0.69) CTSKCTSBCTSSKCNH2
SCHEMBL8100150 0.75 CTSB (0.61) CTSKCTSBCTSSKCNH2
SCHEMBL8111663 0.75 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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