SCHEMBL4047616

SCHEMBL4047616

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)Oc1ccoc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.46
CTSK P43235 18/20 0.46
CTSS P25774 18/20 0.46
CTSV O60911 2/20 0.41
CTSB P07858 1/20 0.36

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
SCHEMBL4050085 0.90 CTSS (0.40) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4043679 0.89 CTSK (0.46) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4047540 0.89 CTSK (0.47) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4046656 0.89 CTSK (0.40) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4042447 0.88 CTSL (0.43) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4043817 0.87 CTSL (0.39) CTSLCTSKCTSSCTSV
SCHEMBL4041369 0.86 CTSS (0.42) CTSLCTSKCTSSCTSV
SCHEMBL4042622 0.85 CTSS (0.40) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4043552 0.85 CTSS (0.40) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4047756 0.84 CTSL (0.38) CTSLCTSKCTSSCTSV

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