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SCHEMBL8108841

SCHEMBL8108841

N#Cc1cccc2sc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)CC3)nc12

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 20/20 0.76
▸ CTSK P43235 20/20 0.76
▸ CTSS P25774 15/20 0.76
▸ KCNH2 Q12809 6/20 0.76
▸ CYP3A4 P08684 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CTSL P07711 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C19 P33261 1/20 0.58

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
SCHEMBL8099018 0.90 CTSB (0.76) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8113821 0.86 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8109493 0.84 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8108734 0.82 CTSB (0.68) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8106379 0.81 CTSK (0.76) CTSBCTSKCTSSKCNH2
SCHEMBL8108735 0.80 CTSB (0.79) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8109807 0.80 CTSB (0.79) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8108208 0.79 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8105829 0.79 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8108722 0.78 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4

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