SCHEMBL4697360

SCHEMBL4697360

NC1CC(C(=O)O)=CCC1c1cc(F)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.49
DPP4 P27487 15/20 0.42
DPP7 Q9UHL4 8/20 0.41
DPP9 Q86TI2 6/20 0.41
DPP8 Q6V1X1 3/20 0.40
KDM1A O60341 4/20 0.38
KCNH2 Q12809 3/20 0.38
KDM1B Q8NB78 2/20 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
SCHEMBL3744987 0.83 DPP4 (0.39) GABRR1DPP4DPP7DPP9DPP8
SCHEMBL3742246 0.83 DPP4 (0.39) GABRR1DPP4DPP7DPP9DPP8
SCHEMBL3739853 0.81 DPP4 (0.55) DPP4DPP7DPP9DPP8KDM1A
SCHEMBL3739847 0.81 DPP4 (0.55) DPP4DPP7DPP9DPP8KDM1A
SCHEMBL3742247 0.80 GABRR1 (0.37) GABRR1DPP4DPP7DPP9DPP8
SCHEMBL3753373 0.80 DPP4 (0.43) DPP4DPP7DPP9DPP8
SCHEMBL3753372 0.80 DPP4 (0.43) DPP4DPP7DPP9DPP8
SCHEMBL3753374 0.80 DPP4 (0.43) DPP4DPP7DPP9DPP8
SCHEMBL3745322 0.78 DPP4 (0.47) DPP4DPP7DPP9DPP8
SCHEMBL3754826 0.78 DPP4 (0.39) DPP4DPP7DPP9DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP claimed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO claimed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed