SCHEMBL8108928

SCHEMBL8108928

COc1ccc(Cl)c(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(N)CC3)[C@H](C)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.52
▸ CTSB P07858 15/20 0.52
▸ CTSS P25774 15/20 0.52
▸ ROCK2 O75116 2/20 0.44
▸ PRKG1 Q13976 2/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL8109875 0.79 CTSB (0.58) CTSKCTSBCTSS
SCHEMBL8108226 0.76 CTSK (0.69) CTSKCTSBCTSS
SCHEMBL8107799 0.76 CTSK (0.55) CTSKCTSBCTSS
SCHEMBL8113087 0.74 CTSK (0.65) CTSKCTSBCTSS
SCHEMBL8113151 0.74 CTSB (0.55) CTSKCTSBCTSS
SCHEMBL8107807 0.74 CTSB (0.51) CTSKCTSBCTSS
SCHEMBL8099434 0.73 CTSK (0.54) CTSKCTSBCTSSROCK2PRKG1
SCHEMBL8110520 0.73 CTSK (0.64) CTSKCTSBCTSS
SCHEMBL8099548 0.72 CTSK (0.68) CTSKCTSBCTSSFFAR4
SCHEMBL8110129 0.72 CTSB (0.53) 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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