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SCHEMBL8105829

SCHEMBL8105829

N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)s1

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 15/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ KCNH2 Q12809 7/20 0.66
▸ CTSL P07711 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61

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
SCHEMBL8123486 0.83 CTSB (1.00) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8109858 0.82 CTSB (0.70) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8104168 0.80 CTSB (1.00) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8113821 0.80 CTSB (1.00) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8108208 0.79 CTSB (1.00) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8109493 0.79 CTSB (1.00) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8099073 0.79 CTSB (1.00) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8112869 0.79 CTSB (1.00) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8108841 0.79 CTSB (0.76) CTSBCTSKCTSSCYP3A4CYP2C9
SCHEMBL8107285 0.77 CTSB (0.69) CTSBCTSKCTSSCYP3A4CYP2C9

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