SCHEMBL4049900

SCHEMBL4049900

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.43
DPP7 Q9UHL4 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CTSK P43235 2/20 0.39
POLB P06746 2/20 0.36
LIPE Q05469 1/20 0.33
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
AIMP2 Q13155 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 1/20 0.32
CTSS P25774 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
SCHEMBL4045018 0.90 DPP4 (0.48) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4053303 0.89 DPP7 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4043977 0.88 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4051774 0.88 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4049054 0.86 DPP4 (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4052757 0.82 DPP4 (0.48) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4044435 0.81 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4043693 0.81 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4045289 0.81 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4050902 0.80 DPP4 (0.46) DPP4DPP7DPP8DPP9CTSK

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