SCHEMBL8103197

SCHEMBL8103197

N#CC1(NC(=O)C2CCCC[C@H]2C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 1.00
▸ CTSB P07858 1/20 0.82

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
SCHEMBL2248612 1.00 CTSK (1.00) CTSKCTSB
SCHEMBL2244605 0.90 CTSB (1.00) CTSKCTSB
SCHEMBL2243106 0.90 CTSK (0.82) CTSKCTSB
SCHEMBL2243955 0.89 CTSK (1.00) CTSKCTSB
SCHEMBL2241261 0.88 CTSK (1.00) CTSKCTSB
SCHEMBL2248298 0.88 CTSK (1.00) CTSKCTSB
SCHEMBL2241195 0.88 CTSK (1.00) CTSKCTSB
SCHEMBL14563104 0.88 CTSK (0.78) CTSKCTSB
SCHEMBL2243628 0.87 CTSK (1.00) CTSKCTSB
SCHEMBL2244031 0.86 CTSK (0.75) CTSKCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 — — WO disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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