SCHEMBL6229458

SCHEMBL6229458

Cc1ccc2c(c1)CN(C(=O)CC(C)(C)N)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.51
DPP9 Q86TI2 3/20 0.51
DPP7 Q9UHL4 2/20 0.51
DPP4 P27487 3/20 0.49
NAMPT P43490 7/20 0.42
FAP Q12884 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSP90AA1 P07900 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RIPK1 Q13546 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
SCHEMBL6230796 0.84 DPP9 (0.59) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL6234012 0.84 HDAC8 (0.42) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL6231359 0.84 DPP8 (0.52) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL6228669 0.84 DPP7 (0.43) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL6227826 0.83 NAMPT (0.47) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL5068829 0.83 NOTUM (0.52) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL6232215 0.82 DPP7 (0.56) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL6234508 0.82 ESR1 (0.51) NAMPTHSP90AA1
SCHEMBL6227541 0.80 DPP4 (0.35) DPP8DPP9DPP7DPP4NAMPT
SCHEMBL6229255 0.79 DPP8 (0.34) DPP8DPP9DPP7DPP4HSP90AA1

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