SCHEMBL4047167

SCHEMBL4047167

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)Oc1cc2sccc2s1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
CTSK P43235 3/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL4044546 0.90 CTSK (0.39) CTSKCTSBCTSS
SCHEMBL4048681 0.90 CTSL (0.32) USP30CTSKCTSS
SCHEMBL4040568 0.90 CTSK (0.36) CTSKCTSBCTSS
SCHEMBL4044612 0.90 PREP (0.33) CTSK
SCHEMBL4040702 0.89 CTSK (0.38) USP30CTSKCTSBCTSS
SCHEMBL4043912 0.89 CTSK (0.32) USP30CTSKCTSBCTSS
SCHEMBL4052028 0.88 CTSK (0.32) CTSK
SCHEMBL4039560 0.85 HCRTR2 (0.33) CTSKCTSBCTSS
SCHEMBL4046790 0.83 USP30 (0.36) USP30CTSKCTSBCTSS
SCHEMBL4045954 0.83 SMYD3 (0.33) CTSKCTSBCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP claimed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 WO claimed