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SCHEMBL24019014

SCHEMBL24019014

CN[SH]1(=O)CCN(c2ccc(-c3oc(C(C)(C)C)nc3[C@@H]3CC[C@H](F)C[C@H]3C(=O)NC3(C#N)CC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 0.40
▸ CTSB P07858 8/20 0.38
▸ CTSS P25774 8/20 0.38
▸ KCNH2 Q12809 3/20 0.38

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
SCHEMBL16636205 0.92 CTSK (0.41) CTSKCTSBCTSSKCNH2
SCHEMBL16636473 0.92 CTSK (0.41) CTSKCTSBCTSSKCNH2
SCHEMBL24018937 0.90 CTSK (0.44) CTSKCTSBCTSSKCNH2
SCHEMBL16635817 0.90 CTSK (0.40) CTSKCTSBCTSSKCNH2
SCHEMBL16636013 0.90 CTSK (0.40) CTSKCTSBCTSSKCNH2
SCHEMBL16636227 0.88 CTSK (0.46) CTSKCTSBCTSSKCNH2
SCHEMBL16636229 0.88 CTSK (0.53) CTSKCTSBCTSSKCNH2
SCHEMBL24018974 0.88 CTSK (0.41) CTSKCTSBCTSSKCNH2
SCHEMBL24018933 0.88 CTSK (0.41) CTSKCTSBCTSSKCNH2
SCHEMBL16635819 0.87 CTSK (0.42) CTSKCTSBCTSSKCNH2

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
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 — — EP disclosed