SCHEMBL4044049

SCHEMBL4044049

Cc1c(OC(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)C(=O)c3ccccn3)CCCCC2)oc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.33
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4041595 0.90 CTSK (0.42) CTSLCTSSCTSK
SCHEMBL6213000 0.89 NPC1 (0.38) CTSLCTSSCTSKLMNAGAA
SCHEMBL4044596 0.89 CTSL (0.38) CTSLCTSSCTSKLMNAGAA
SCHEMBL4042694 0.88 CTSL (0.34) CTSLCTSSCTSKGAA
SCHEMBL4045681 0.85 LMNA (0.36) CTSLCTSSCTSKLMNAGAA
SCHEMBL4043809 0.83 L3MBTL1 (0.32) GAA
SCHEMBL4049041 0.83 CHRNB2 (0.36) LMNAGAA
SCHEMBL4042598 0.82 CTSK (0.31) CTSK
SCHEMBL4049252 0.82 CTSK (0.39) CTSLCTSSCTSK
SCHEMBL4050428 0.82 HPGD (0.33) LMNAGAA

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed