SCHEMBL4044864

SCHEMBL4044864

CC(C)CC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.43
CTSL P07711 12/20 0.43
CTSS P25774 12/20 0.43
CTSB P07858 5/20 0.43
CTSV O60911 2/20 0.35
UTS2R Q9UKP6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4052232 0.93 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4053835 0.92 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043689 0.90 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043256 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041452 0.88 CTSK (0.49) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL4042370 0.88 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4045950 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043226 0.86 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048011 0.86 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045521 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBUTS2R

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