SCHEMBL4044250

SCHEMBL4044250

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
DPP4 P27487 6/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 1/20 0.40
CTSS P25774 1/20 0.36
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL5941514 0.85 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4048380 0.85 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4044700 0.84 CTSK (0.52) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4049054 0.82 DPP4 (0.52) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4048137 0.82 CTSK (0.65) CTSKCTSSPOLB
SCHEMBL4042997 0.82 CTSK (0.47) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5941493 0.82 CTSK (0.44) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5942111 0.80 CTSK (0.51) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4050765 0.80 CTSK (0.51) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4046490 0.80 CTSK (0.79) CTSKCTSS

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