SCHEMBL6234012

SCHEMBL6234012

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.42
MAOB P27338 1/20 0.42
NAMPT P43490 1/20 0.41
HDAC1 Q13547 3/20 0.40
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
FAP Q12884 3/20 0.39
RIPK1 Q13546 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL6227541 0.85 DPP4 (0.35) HDAC8NAMPTHDAC1DPP4DPP8
SCHEMBL6229458 0.84 DPP8 (0.51) HDAC8NAMPTDPP4DPP8DPP9
SCHEMBL6228669 0.83 DPP7 (0.43) HDAC8NAMPTDPP4DPP8DPP9
SCHEMBL6231359 0.83 DPP8 (0.52) HDAC8NAMPTHDAC1DPP4DPP8
SCHEMBL6230796 0.83 DPP9 (0.59) NAMPTDPP4DPP8DPP9DPP7
SCHEMBL6227826 0.82 NAMPT (0.47) HDAC8NAMPTDPP4DPP8DPP9
SCHEMBL5068829 0.82 NOTUM (0.52) HDAC8NAMPTDPP4DPP8DPP9
SCHEMBL6232215 0.81 DPP7 (0.56) NAMPTDPP4DPP8DPP9DPP7
SCHEMBL6234508 0.81 ESR1 (0.51) NAMPT
SCHEMBL16282720 0.77 HDAC6 (0.61) HDAC8MAOBNAMPTHDAC1DPP4

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