SCHEMBL4049237

SCHEMBL4049237

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
LARS1 Q9P2J5 2/20 0.42
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ANPEP P15144 1/20 0.37

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
SCHEMBL5941665 1.00 CTSK (0.44) CTSKLARS1DPP4DPP8DPP9
SCHEMBL4045680 0.91 DPP4 (0.41) CTSKLARS1DPP4DPP8DPP9
SCHEMBL4039220 0.88 HSD17B10 (0.42) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4041763 0.86 CTSK (0.45) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4044728 0.81 DPP4 (0.40) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4048380 0.81 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5941514 0.81 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4039127 0.81 CTSK (0.61) CTSK
SCHEMBL4049054 0.79 DPP4 (0.52) CTSKDPP4DPP8DPP9DPP7
SCHEMBL13909140 0.79 CTSK (0.61) CTSK

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