SCHEMBL6229255

SCHEMBL6229255

Cc1cc(O)c2c(c1)CN(C(=O)CC(C)(C)N)C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.34
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM4 P08173 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HSP90AA1 P07900 7/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
CACNA1H O95180 1/20 0.31
HSP90AB1 P08238 4/20 0.31
TRAP1 Q12931 1/20 0.30
HSP90B1 P14625 1/20 0.30

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
SCHEMBL6230609 0.83 ABHD6 (0.36) TRAP1HSP90B1
SCHEMBL6232130 0.80 TRAP1 (0.38) DPP8DPP4DPP9DPP7HSP90AA1
SCHEMBL6229458 0.79 DPP8 (0.51) DPP8DPP4DPP9DPP7HSP90AA1
SCHEMBL15893724 0.75 ESR2 (0.48)
SCHEMBL6230180 0.75 TRAP1 (0.44) DPP8DPP4DPP9DPP7TRAP1
SCHEMBL6227541 0.74 DPP4 (0.35) DPP8DPP4DPP9DPP7CACNA1H
SCHEMBL5068829 0.73 NOTUM (0.52) DPP8DPP4DPP9DPP7HSP90AA1
SCHEMBL6230084 0.71 SMO (0.33) DPP4CYP1A2CHRM4DPP7CACNA1H
SCHEMBL6231874 0.70 DPP8 (0.54) DPP8DPP4DPP9DPP7TRAP1
SCHEMBL6229281 0.70 CYP1A2 (0.32) CYP1A2CACNA1H

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