SCHEMBL4039165

SCHEMBL4039165

CC(C)CC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.40
CTSL P07711 6/20 0.40
CTSS P25774 5/20 0.40
CTSB P07858 4/20 0.40
HSD17B10 Q99714 1/20 0.37
HCRTR2 O43614 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
KCNQ1 P51787 1/20 0.33
KMT2A Q03164 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
SCHEMBL4048207 0.92 HSD17B10 (0.36) CTSKCTSLCTSSCTSBHSD17B10
SCHEMBL4039158 0.92 CTSK (0.40) CTSKCTSLCTSSCTSBHSD17B10
SCHEMBL4042370 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4051166 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4051477 0.89 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4040677 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBHSD17B10
SCHEMBL4043689 0.87 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4044312 0.86 CTSK (0.40) CTSKHSD17B10HCRTR2MMP1MMP3
SCHEMBL4051777 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBHSD17B10
SCHEMBL4045961 0.85 CTSK (0.39) CTSKCTSLCTSSCTSBHSD17B10

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