SCHEMBL4044768

SCHEMBL4044768

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)Oc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.44
CTSS P25774 14/20 0.44
CTSB P07858 7/20 0.44
CTSK P43235 18/20 0.41
CTSV O60911 2/20 0.39

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
SCHEMBL4044198 0.93 CTSL (0.42) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4044603 0.90 MC4R (0.37) CTSLCTSSCTSBCTSK
SCHEMBL4045047 0.90 CTSL (0.37) CTSLCTSSCTSBCTSK
SCHEMBL4041433 0.88 ALDH1A1 (0.35) CTSLCTSSCTSB
SCHEMBL4041003 0.87 CTSL (0.39) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4043722 0.86 CTSK (0.40) CTSLCTSSCTSBCTSK
SCHEMBL4045912 0.85 ITGA4 (0.34) CTSLCTSSCTSBCTSK
SCHEMBL4042676 0.85 CTSB (0.36) CTSLCTSSCTSBCTSK
SCHEMBL4045610 0.85 POLB (0.33) CTSLCTSSCTSBCTSK
SCHEMBL4047478 0.85 MC4R (0.37) CTSLCTSSCTSBCTSK

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