SCHEMBL4048926

SCHEMBL4048926

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)Oc1cc2sccc2s1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.39
CTSK P43235 18/20 0.39
CTSS P25774 18/20 0.39
CTSV O60911 3/20 0.35
CTSB P07858 2/20 0.35

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
SCHEMBL4045875 0.92 CTSK (0.41) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4041176 0.91 CTSL (0.36) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4048681 0.90 CTSL (0.32) CTSLCTSKCTSSCTSV
SCHEMBL4043092 0.90 CTSL (0.32) CTSLCTSKCTSSCTSV
SCHEMBL4040568 0.90 CTSK (0.36) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4051011 0.87 HCRTR2 (0.34) CTSLCTSSCTSV
SCHEMBL4044727 0.86 CTSK (0.38) CTSLCTSKCTSSCTSV
SCHEMBL4042623 0.85 CTSV (0.32) CTSLCTSKCTSSCTSV
SCHEMBL4044554 0.85 CTSV (0.32) CTSLCTSKCTSSCTSV
SCHEMBL4044323 0.84 SMYD3 (0.33)

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