SCHEMBL14730283

SCHEMBL14730283

CCN(C(=O)c1cnc(N2C[C@H](c3cc(F)c(F)cc3F)[C@@H](N)C2)nc1)C1CCN(c2nc(C(F)F)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.40
DPP7 Q9UHL4 15/20 0.40
DPP8 Q6V1X1 11/20 0.40
DPP9 Q86TI2 10/20 0.40
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL14730235 0.95 DPP4 (0.35) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL14730230 0.92 DPP4 (0.38) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL14730288 0.91 DPP4 (0.41) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL14730238 0.89 DPP4 (0.40) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL14730361 0.86 GPR119 (0.35) DPP4DPP7DPP8CYP2D6KCNH2
SCHEMBL14730357 0.86 DPP4 (0.36) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL8549016 0.84 GPR119 (0.34) KCNH2
SCHEMBL14730234 0.83 DPP4 (0.45) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL14730231 0.82 DPP4 (0.41) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL14730360 0.82 MCHR1 (0.36) DPP4DPP7DPP8DPP9CYP2D6

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed