SCHEMBL2355496

SCHEMBL2355496

O[C@@H](CCl)Cc1cc(F)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.46
DPP7 Q9UHL4 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL343719 1.00 DPP4 (0.46) DPP4DPP7HDAC1HDAC8DPP9
SCHEMBL343718 1.00 DPP4 (0.46) DPP4DPP7HDAC1HDAC8DPP9
SCHEMBL29362057 1.00 DPP4 (0.46) DPP4DPP7HDAC1HDAC8DPP9
SCHEMBL7140778 0.81 DPP4 (0.52) DPP4DPP7
SCHEMBL10022727 0.81 DPP4 (0.52) DPP4DPP7
SCHEMBL1552897 0.81 HTR2A (0.35) DPP4
SCHEMBL1552901 0.81 HTR2A (0.35) DPP4
SCHEMBL1552994 0.79 MEN1 (0.38) DPP4DPP9
SCHEMBL1552997 0.79 MEN1 (0.38) DPP4DPP9
SCHEMBL20630900 0.78 DPP4 (0.52) DPP4DPP7DPP9

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
WO-2011102640-A2 METHOD FOR PREPARING SITAGLIPTIN AND AMINE SALT INTERMEDIATES USED THEREIN HANMI HOLDINGS CO., LTD. (KR) 2011-08-25 WO disclosed