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SCHEMBL8108722

SCHEMBL8108722

CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)CC3)sc2c1

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
▸ CYP3A4 P08684 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CTSL P07711 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CTSS P25774 15/20 0.74
▸ KCNH2 Q12809 6/20 0.74
▸ CYP2C19 P33261 1/20 0.57

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
SCHEMBL8108735 0.87 CTSB (0.79) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8109807 0.87 CTSB (0.79) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8113821 0.85 CTSB (1.00) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8113806 0.81 CTSK (1.00) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8108860 0.81 CTSB (0.79) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8099124 0.80 CTSK (0.75) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL4589750 0.79 CTSK (0.94) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8109493 0.78 CTSB (1.00) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8108208 0.78 CTSB (1.00) CTSBCTSKCYP3A4CYP2C9CTSL
SCHEMBL8108841 0.78 CTSB (0.76) CTSBCTSKCYP3A4CYP2C9CTSL

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