SCHEMBL14723221

SCHEMBL14723221

COC(=O)c1cnc(N2CC(NC(=O)OC(C)(C)C)C(c3cc(F)c(F)cc3F)C2)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 2/20 0.40
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP7 Q9UHL4 3/20 0.36
DPP9 Q86TI2 2/20 0.36
EIF2AK4 Q9P2K8 1/20 0.34
PDE4B Q07343 2/20 0.34
KDM1A O60341 1/20 0.34
BTK Q06187 1/20 0.34
OGA O60502 1/20 0.33
RET P07949 3/20 0.33
F2R P25116 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL14730330 1.00 NR1H2 (0.40) NR1H2NR1H3DPP4DPP8DPP7
SCHEMBL14723098 0.94 NR1H2 (0.38) NR1H2NR1H3DPP4DPP8DPP7
SCHEMBL14730335 0.91 DPP4 (0.38) NR1H2DPP4DPP8DPP7DPP9
SCHEMBL14723522 0.90 NR1H2 (0.42) NR1H2NR1H3DPP4EIF2AK4PDE4B
SCHEMBL14723584 0.89 NR1H2 (0.41) NR1H2NR1H3EIF2AK4PDE4BKDM1A
SCHEMBL6128111 0.88 NR1H2 (0.39) NR1H2NR1H3EIF2AK4PDE4BKDM1A
SCHEMBL6128110 0.85 RBP4 (0.36) NR1H2DPP4DPP8DPP7DPP9
SCHEMBL14723477 0.85 RBP4 (0.36) NR1H2DPP4DPP8DPP7DPP9
SCHEMBL14730264 0.84 HPGDS (0.38) DPP4DPP8DPP7DPP9EIF2AK4
SCHEMBL14730210 0.83 RET (0.37) DPP4DPP8DPP7DPP9RET

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