SCHEMBL4043092

SCHEMBL4043092

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1)Oc1cc2sccc2s1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.32
CTSS P25774 3/20 0.32
CTSV O60911 2/20 0.32
GCK P35557 1/20 0.31
CTSK P43235 3/20 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
SCHEMBL4051023 0.92 CTSK (0.39) CTSLCTSSCTSVCTSK
SCHEMBL4045509 0.92 PREP (0.33) CTSK
SCHEMBL4043912 0.90 CTSK (0.32) CTSSCTSK
SCHEMBL4048926 0.90 CTSL (0.39) CTSLCTSSCTSVCTSK
SCHEMBL4048681 0.88 CTSL (0.32) CTSLCTSSCTSVCTSK
SCHEMBL4044323 0.88 SMYD3 (0.33) GCK
SCHEMBL4044727 0.84 CTSK (0.38) CTSLCTSSCTSVCTSK
SCHEMBL4051011 0.84 HCRTR2 (0.34) CTSLCTSSCTSVGCK
SCHEMBL4037997 0.83 CTSK (0.40) CTSLCTSSCTSVCTSK
SCHEMBL4045022 0.83 CTSK (0.35) CTSLCTSSCTSVCTSK

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