SCHEMBL4042623

SCHEMBL4042623

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1)Oc1cc2sccc2s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.32
CTSL P07711 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 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
SCHEMBL4049345 0.92 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL4040945 0.92 CTSK (0.31) CTSK
SCHEMBL4039885 0.91 KDM4E (0.32) CTSSCTSK
SCHEMBL4044554 0.90 CTSV (0.32) CTSVCTSLCTSSCTSK
SCHEMBL4051011 0.89 HCRTR2 (0.34) CTSVCTSLCTSS
SCHEMBL4048926 0.85 CTSL (0.39) CTSVCTSLCTSSCTSK
SCHEMBL4049257 0.82 CTSK (0.41) CTSLCTSSCTSK
SCHEMBL4043092 0.82 CTSL (0.32) CTSVCTSLCTSSCTSK
SCHEMBL4048681 0.82 CTSL (0.32) CTSVCTSLCTSSCTSK
SCHEMBL4044587 0.82 CTSK (0.35) CTSK

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