SCHEMBL8205780

SCHEMBL8205780

CC(C)(N)c1ccc2c(c1)CN(C(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.47
DPP8 Q6V1X1 4/20 0.43
DPP9 Q86TI2 4/20 0.43
DPP4 P27487 3/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NR1H2 P55055 1/20 0.39
NAMPT P43490 3/20 0.38
HDAC1 Q13547 1/20 0.37
NOTUM Q6P988 1/20 0.37
ESR2 Q92731 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
SLC6A9 P48067 1/20 0.36
HSD17B3 P37058 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.36

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
SCHEMBL13594616 0.83 DPP7 (0.56) DPP7DPP4NAMPTHDAC1NOTUM
SCHEMBL8205782 0.81 HDAC8 (0.40) DPP7DPP8DPP9DPP4HDAC8
SCHEMBL29168673 0.74 HDAC6 (0.56) DPP7DPP8DPP9DPP4HDAC8
SCHEMBL1393814 0.74 NR1H2 (0.50) DPP7DPP8DPP9DPP4HDAC8
SCHEMBL14048143 0.74 DPP8 (0.54) DPP7DPP8DPP9DPP4NAMPT
SCHEMBL6232215 0.74 DPP7 (0.56) DPP7DPP8DPP9DPP4NAMPT
SCHEMBL6228669 0.73 DPP7 (0.43) DPP7DPP8DPP9DPP4HDAC8
SCHEMBL2930510 0.72 ESR2 (0.54) DPP7DPP4HDAC8HDAC6NAMPT
SCHEMBL3773132 0.72 ABHD6 (0.54) ESR2HSP90AA1HSP90AB1
SCHEMBL25493196 0.70 PDE2A (0.40) NOTUM

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
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed