SCHEMBL8105461

SCHEMBL8105461

COc1cccc2c3c([nH]c12)CCN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(N)CC1)C3

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 0.65
▸ CTSB P07858 1/20 0.51

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
SCHEMBL2248488 0.89 CTSK (0.82) CTSKCTSB
SCHEMBL12364536 0.86 CTSK (0.59) CTSKCTSB
SCHEMBL29076287 0.81 CTSK (0.52) CTSKCTSB
SCHEMBL29076290 0.81 CTSK (0.52) CTSKCTSB
SCHEMBL30497445 0.81 CTSK (0.52) CTSKCTSB
SCHEMBL2243809 0.80 CTSK (0.78) CTSKCTSB
SCHEMBL2243179 0.79 CTSK (0.76) CTSKCTSB
SCHEMBL3264277 0.79 CTSK (0.76) CTSKCTSB
SCHEMBL2246364 0.79 CTSK (1.00) CTSKCTSB
SCHEMBL2244439 0.79 CTSK (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 — — EP disclosed
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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