SCHEMBL14730335

SCHEMBL14730335

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP7 Q9UHL4 4/20 0.38
DPP9 Q86TI2 3/20 0.38
RBP4 P02753 1/20 0.37
KDM1A O60341 2/20 0.34
NR1H2 P55055 1/20 0.34
RET P07949 2/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
F2R P25116 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 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
SCHEMBL6128110 0.94 RBP4 (0.36) DPP4DPP8DPP7DPP9RBP4
SCHEMBL14723477 0.94 RBP4 (0.36) DPP4DPP8DPP7DPP9RBP4
SCHEMBL14723221 0.91 NR1H2 (0.40) DPP4DPP8DPP7DPP9KDM1A
SCHEMBL14730330 0.91 NR1H2 (0.40) DPP4DPP8DPP7DPP9KDM1A
SCHEMBL6128115 0.90 NTRK1 (0.41) DPP4RBP4KDM1ANR1H2RET
SCHEMBL14722979 0.90 NTRK1 (0.41) DPP4RBP4KDM1ANR1H2RET
SCHEMBL14722985 0.88 RBP4 (0.45) RBP4KDM1AMAOBEIF2AK4CKS1B
SCHEMBL14723098 0.85 NR1H2 (0.38) DPP4DPP8DPP7DPP9KDM1A
SCHEMBL14730264 0.85 HPGDS (0.38) DPP4DPP8DPP7DPP9KDM1A
SCHEMBL6128140 0.83 GPR119 (0.36) DPP4DPP8DPP7DPP9NR1H2

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