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SCHEMBL8108160

SCHEMBL8108160

Cc1sc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)nc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 20/20 1.00
▸ CTSK P43235 20/20 1.00
▸ CTSS P25774 14/20 1.00
▸ KCNH2 Q12809 6/20 1.00
▸ CYP3A4 P08684 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ CTSL P07711 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59

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
SCHEMBL8106390 0.90 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8112869 0.79 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8109515 0.78 CTSB (0.65) CTSBCTSKCTSSKCNH2
SCHEMBL8104168 0.78 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8113821 0.78 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8105829 0.77 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8108734 0.77 CTSB (0.68) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8123486 0.76 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8109493 0.76 CTSB (1.00) CTSBCTSKCTSSKCNH2CYP3A4
SCHEMBL8122264 0.76 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
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