SCHEMBL6874663

SCHEMBL6874663

N#CCNC(=O)C(CNC(=O)N1CCN(C(=O)O)CC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.41
CTSS P25774 10/20 0.41
CTSB P07858 6/20 0.41
CTSL P07711 3/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5523062 0.93 CTSS (0.49) CTSKCTSSCTSBCTSLKDM4E
SCHEMBL5517701 0.88 CTSS (0.40) CTSKCTSSCTSBCTSLKDM4E
SCHEMBL5523888 0.88 CTSS (0.52) CTSKCTSSCTSBCTSLALDH1A1
SCHEMBL5523068 0.88 CTSK (0.40) CTSKCTSSCTSBCTSL
SCHEMBL5526366 0.88 L3MBTL1 (0.46) CTSKCTSSCTSBCTSLKDM4E
SCHEMBL5529717 0.86 CTSS (0.46) CTSKCTSSCTSBCTSLKDM4E
SCHEMBL5525439 0.83 USP30 (0.50) KDM4EALDH1A1
SCHEMBL5530343 0.81 POLB (0.50) CTSLKDM4EALDH1A1LMNA
SCHEMBL5526866 0.80 CTSL (0.45) CTSKCTSSCTSBCTSL
SCHEMBL5523008 0.79 CTSL (0.44) CTSKCTSSCTSBCTSLLMNA

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-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed