SCHEMBL6995205

SCHEMBL6995205

CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCC(C)(NCC(=O)N3CCC[C@H]3C#N)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.57
DPP8 Q6V1X1 2/20 0.57
DPP9 Q86TI2 2/20 0.57
KDM4E B2RXH2 2/20 0.51
PREP P48147 5/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL6995131 0.93 DPP4 (0.56) DPP4DPP8DPP9KDM4EPREP
SCHEMBL6985189 0.89 DPP4 (0.62) DPP4DPP8DPP9PREPHSD17B10
Hydrochloric Acid SCHEMBL6702231 0.85 DPP4 (0.63) DPP4DPP8DPP9PREPDPP7
SCHEMBL6991213 0.84 DPP4 (0.57) DPP4DPP8DPP9PREPDPP7
SCHEMBL7093651 0.83 DPP4 (0.61) DPP4DPP8DPP9KDM4EPREP
SCHEMBL6702318 0.82 DPP4 (0.67) DPP4DPP8DPP9PREPDPP7
SCHEMBL6988463 0.82 DPP4 (0.60) DPP4DPP8DPP9PREPDPP7
Hydrochloric Acid SCHEMBL6703826 0.80 DPP4 (0.67) DPP4DPP8DPP9PREPDPP7
Hydrochloric Acid SCHEMBL6700943 0.79 DPP4 (0.66) DPP4DPP8DPP9PREPDPP7
Hydrochloric Acid SCHEMBL7088700 0.79 DPP4 (0.71) DPP4DPP8DPP9PREPDPP7

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-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP disclosed