SCHEMBL6231359

SCHEMBL6231359

CC(C)(N)CC(=O)N1Cc2ccc(Br)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.52
DPP9 Q86TI2 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
ABHD6 Q9BV23 3/20 0.48
NAMPT P43490 4/20 0.43
HSP90AA1 P07900 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HSD17B3 P37058 3/20 0.40
DPP4 P27487 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.37
RBP4 P02753 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL30575108 0.87 DPP8 (0.50) DPP8DPP9DPP7ABHD6NAMPT
SCHEMBL6229458 0.84 DPP8 (0.51) DPP8DPP9DPP7NAMPTHSP90AA1
SCHEMBL6230796 0.83 DPP9 (0.59) DPP8DPP9DPP7NAMPTDPP4
SCHEMBL6228669 0.83 DPP7 (0.43) DPP8DPP9DPP7NAMPTHDAC8
SCHEMBL6234012 0.83 HDAC8 (0.42) DPP8DPP9DPP7NAMPTHDAC8
SCHEMBL6227826 0.82 NAMPT (0.47) DPP8DPP9DPP7NAMPTHDAC8
SCHEMBL5068829 0.82 NOTUM (0.52) DPP8DPP9DPP7NAMPTHSP90AA1
SCHEMBL6234508 0.81 ESR1 (0.51) ABHD6NAMPTHSP90AA1
SCHEMBL6232215 0.81 DPP7 (0.56) DPP8DPP9DPP7NAMPTHSD17B3
SCHEMBL6227541 0.79 DPP4 (0.35) DPP8DPP9DPP7NAMPTHDAC8

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-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed