SCHEMBL28070441

SCHEMBL28070441

CCC(=O)N1C[C@H]1Cc1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.38
DPP7 Q9UHL4 13/20 0.38
DPP8 Q6V1X1 13/20 0.38
DPP9 Q86TI2 5/20 0.37
CYP2D6 P10635 2/20 0.37
FAP Q12884 2/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
TP53 P04637 1/20 0.35

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
SCHEMBL27963865 1.00 DPP4 (0.38) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL343753 0.84 ABCB1 (0.44) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL343752 0.84 ABCB1 (0.44) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL344727 0.83 DPP4 (0.38) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL542233 0.81 DPP4 (0.39) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL343021 0.78 DPP4 (0.51) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL343020 0.78 DPP4 (0.51) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL10022723 0.73 DPP4 (0.36) DPP4DPP7DPP8DPP9FAP
SCHEMBL27963868 0.71 DPP4 (0.48) DPP4DPP7
SCHEMBL10328395 0.70 DPP4 (0.35) DPP4DPP7DPP8

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
CN-103922971-B For the preparation of improving one's methods of the intermediate of dipeptidyl peptidase-iv inhibitor DONG-A ST CO., LTD. (KR) 2016-05-11 CN disclosed