SCHEMBL8107531

SCHEMBL8107531

COC(=O)c1cccc2c1CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(N)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 0.46
▸ CTSB P07858 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.46

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
SCHEMBL8105461 0.75 CTSK (0.65) CTSKCTSB
SCHEMBL8099548 0.70 CTSK (0.68) CTSKCTSBCTSS
SCHEMBL19739032 0.69 ESR2 (0.51) —
SCHEMBL3454882 0.68 PRMT5 (0.50) —
SCHEMBL4789866 0.68 CTSK (0.70) CTSKCTSBCTSLCTSS
SCHEMBL13181749 0.67 PRMT5 (0.45) —
SCHEMBL4789293 0.67 CTSK (0.68) CTSKCTSBCTSS
SCHEMBL8106184 0.67 CTSK (0.68) CTSKCTSBCTSS
SCHEMBL8100198 0.66 CTSK (0.69) CTSKCTSBCTSS
SCHEMBL4787930 0.66 CTSK (0.69) 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-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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