SCHEMBL4042622

SCHEMBL4042622

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1)Oc1ccoc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.40
CTSL P07711 5/20 0.40
CTSV O60911 2/20 0.40
CTSK P43235 8/20 0.32
CTSB P07858 1/20 0.30
F2RL1 P55085 1/20 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
SCHEMBL4047629 0.90 CTSK (0.40) CTSSCTSLCTSKCTSB
SCHEMBL4043552 0.90 CTSS (0.40) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4040755 0.89 CTSK (0.35) CTSSCTSLCTSK
SCHEMBL4048544 0.89 P2RY12 (0.32) CTSK
SCHEMBL4043817 0.89 CTSL (0.39) CTSSCTSLCTSVCTSK
SCHEMBL4047616 0.85 CTSL (0.46) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4050085 0.82 CTSS (0.40) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4214125 0.82 CTSS (0.38) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4047756 0.82 CTSL (0.38) CTSSCTSLCTSVCTSK
SCHEMBL4043551 0.82 CTSL (0.41) CTSSCTSLCTSVCTSKF2RL1

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