SCHEMBL4748860

SCHEMBL4748860

CN(C)C(=O)c1ccc(NCC2=CCC(c3ccc(F)c(F)c3F)C(N)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.46
DPP8 Q6V1X1 4/20 0.46
DPP9 Q86TI2 4/20 0.46
FFAR1 O14842 1/20 0.33
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KDM1A O60341 1/20 0.32
EED O75530 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
EPHX2 P34913 1/20 0.30
CDK2 P24941 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAOA P21397 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL3745707 0.87 DPP4 (0.45) DPP4DPP8DPP9FFAR1AURKA
SCHEMBL3745703 0.87 DPP4 (0.45) DPP4DPP8DPP9FFAR1AURKA
SCHEMBL3745710 0.87 DPP4 (0.45) DPP4DPP8DPP9FFAR1AURKA
SCHEMBL3747993 0.75 DPP4 (0.54) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3746364 0.75 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3747985 0.75 DPP4 (0.54) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3746362 0.75 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3747988 0.75 DPP4 (0.54) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3746369 0.75 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3748074 0.73 DPP4 (0.47) DPP4DPP8DPP9

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-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