SCHEMBL7666329

SCHEMBL7666329

N#CCNC(=O)[C@@H](CCc1cccc(C#N)c1)NC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 15/20 0.64
▸ CTSS P25774 15/20 0.64
▸ CTSK P43235 8/20 0.64
▸ CTSB P07858 11/20 0.62
▸ CTSV O60911 6/20 0.61

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
SCHEMBL7666326 1.00 CTSL (0.64) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5529194 0.89 CTSL (0.76) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5527598 0.82 CTSL (0.73) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6021768 0.79 CTSL (1.00) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5517755 0.79 CTSL (1.00) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5525751 0.79 CTSL (0.71) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5528277 0.78 CTSL (0.83) CTSLCTSSCTSKCTSBCTSV
SCHEMBL23279751 0.78 ACE (0.58) CTSLCTSSCTSKCTSBCTSV
SCHEMBL7594265 0.78 CTSB (0.55) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6184058 0.77 CTSL (0.68) CTSLCTSSCTSKCTSBCTSV

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
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 — — US disclosed
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