SCHEMBL542233

SCHEMBL542233

COC(=O)N1CC1Cc1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.39
TSHR P16473 1/20 0.39
ECE1 P42892 2/20 0.37
OPRK1 P41145 1/20 0.35
DPP8 Q6V1X1 10/20 0.35
DPP7 Q9UHL4 10/20 0.35
DPP9 Q86TI2 8/20 0.35
FAP Q12884 2/20 0.35
CYP2D6 P10635 5/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL343021 0.86 DPP4 (0.51) DPP4ECE1DPP8DPP7DPP9
SCHEMBL343020 0.86 DPP4 (0.51) DPP4ECE1DPP8DPP7DPP9
SCHEMBL343752 0.83 ABCB1 (0.44) DPP4DPP8DPP7DPP9FAP
SCHEMBL343753 0.83 ABCB1 (0.44) DPP4DPP8DPP7DPP9FAP
SCHEMBL344727 0.81 DPP4 (0.38) DPP4TSHRDPP8DPP7DPP9
SCHEMBL27963865 0.81 DPP4 (0.38) DPP4DPP8DPP7DPP9FAP
SCHEMBL28070441 0.81 DPP4 (0.38) DPP4DPP8DPP7DPP9FAP
SCHEMBL27963868 0.78 DPP4 (0.48) DPP4TSHRDPP7PSEN1PSEN2
SCHEMBL368912 0.75 EPHX2 (0.39) DPP4ECE1
SCHEMBL368911 0.75 EPHX2 (0.39) DPP4ECE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415753-B1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG A PHARM CO LTD (KR) 2014-08-27 EP disclosed
EP-2415753-A2 IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 EP disclosed