SCHEMBL4045333

SCHEMBL4045333

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.53
CTSL P07711 7/20 0.43
CTSS P25774 6/20 0.43
CTSB P07858 2/20 0.38
UTS2R Q9UKP6 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 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
SCHEMBL4045843 0.92 CTSK (0.43) CTSKCTSLCTSSUTS2RMEN1
SCHEMBL4046943 0.91 CTSK (0.50) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4042251 0.89 CTSK (0.50) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4041556 0.89 CTSK (0.43) CTSKCTSLCTSSALDH1A1
SCHEMBL4044026 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4050228 0.88 CTSK (0.49) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4046026 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4043883 0.88 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL4043401 0.88 CTSK (0.47) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4045521 0.87 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