SCHEMBL14730264

SCHEMBL14730264

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(C(=O)NC3CCNCC3)cn2)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.38
SMYD3 Q9H7B4 2/20 0.36
DGAT2 Q96PD7 2/20 0.35
CHRM4 P08173 2/20 0.34
AKT1 P31749 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
KDM1A O60341 2/20 0.33
JAK1 P23458 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
MAOB P27338 1/20 0.33
PRKAA2 P54646 1/20 0.33

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
SCHEMBL6128140 0.86 GPR119 (0.36) DPP4DPP8DPP9DPP7
SCHEMBL14730335 0.85 DPP4 (0.38) DPP4DPP8DPP9DPP7EIF2AK4
SCHEMBL14730281 0.84 MAOA (0.32) DPP4DPP8DPP9DPP7MAOB
SCHEMBL14730330 0.84 NR1H2 (0.40) DPP4DPP8DPP9DPP7EIF2AK4
SCHEMBL14723221 0.84 NR1H2 (0.40) DPP4DPP8DPP9DPP7EIF2AK4
SCHEMBL458009 0.84 DPP4 (0.35) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL458011 0.84 ACACB (0.35) DPP4DPP8DPP9DPP7
SCHEMBL14723477 0.79 RBP4 (0.36) DPP4DPP8DPP9DPP7EIF2AK4
SCHEMBL6128110 0.79 RBP4 (0.36) DPP4DPP8DPP9DPP7EIF2AK4
SCHEMBL14723098 0.79 NR1H2 (0.38) DPP4DPP8DPP9DPP7EIF2AK4

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