SCHEMBL6231874

SCHEMBL6231874

CC(C)(N)CC(=O)N1Cc2cccc(F)c2C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.54
DPP9 Q86TI2 2/20 0.54
DPP7 Q9UHL4 2/20 0.54
TRAP1 Q12931 7/20 0.46
HSP90B1 P14625 3/20 0.44
KCNH2 Q12809 5/20 0.41
TMEM97 Q5BJF2 5/20 0.41
SIGMAR1 Q99720 5/20 0.41
NAMPT P43490 1/20 0.40
ABHD6 Q9BV23 2/20 0.40
DPP4 P27487 2/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL6230180 0.86 TRAP1 (0.44) DPP8DPP9DPP7TRAP1NAMPT
SCHEMBL6232130 0.85 TRAP1 (0.38) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL5068829 0.82 NOTUM (0.52) DPP8DPP9DPP7NAMPTDPP4
SCHEMBL6229746 0.82 ABHD6 (0.55) DPP8TRAP1HSP90B1NAMPTABHD6
SCHEMBL3478866 0.81 DPP8 (0.60) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL3429846 0.79 DPP8 (0.53) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL8207795 0.76 DPP8 (0.57) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL8404042 0.76 NOTUM (0.61) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL8221404 0.76 DDB1 (0.55) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL6230796 0.75 DPP9 (0.59) DPP8DPP9DPP7KCNH2TMEM97

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