SCHEMBL8113087

SCHEMBL8113087

COc1cc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(N)CC3)[C@H](C)C2)ccc1C(C)(C)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 0.65
▸ CTSB P07858 17/20 0.65
▸ CTSS P25774 15/20 0.65
▸ CHRM4 P08173 2/20 0.36

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
SCHEMBL8108226 0.85 CTSK (0.69) CTSKCTSBCTSSCHRM4
SCHEMBL8109875 0.77 CTSB (0.58) CTSKCTSBCTSS
SCHEMBL8111374 0.77 CTSB (0.59) CTSKCTSBCTSS
SCHEMBL8113151 0.76 CTSB (0.55) CTSKCTSBCTSSCHRM4
SCHEMBL8099434 0.75 CTSK (0.54) CTSKCTSBCTSS
SCHEMBL8108928 0.74 CTSK (0.52) CTSKCTSBCTSS
SCHEMBL8110129 0.74 CTSB (0.53) CTSKCTSBCTSS
SCHEMBL8107799 0.74 CTSK (0.55) CTSKCTSBCTSS
SCHEMBL8110520 0.73 CTSK (0.64) CTSKCTSBCTSS
SCHEMBL8113972 0.70 CTSK (0.48) CTSKCTSBCTSS

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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