SCHEMBL14730293

SCHEMBL14730293

Cc1ccc(F)c([C@H]2CN(c3ncc(C(=O)N(C)C4CCN(c5nc([C@@H]6CCCO6)no5)CC4)cn3)C[C@@H]2N)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.32
WDR5 P61964 1/20 0.32
DPP8 Q6V1X1 3/20 0.31
DPP9 Q86TI2 3/20 0.31
DPP7 Q9UHL4 3/20 0.31
PDK2 Q15119 1/20 0.31
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 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
SCHEMBL14730289 0.95 MCHR1 (0.34) DPP4WDR5DPP8DPP9DPP7
SCHEMBL14730186 0.91 GPR119 (0.36) DPP4WDR5DPP8DPP9DPP7
SCHEMBL14730365 0.88 MCHR1 (0.34) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14730363 0.86 GPR119 (0.36) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14730242 0.85 ALOX5AP (0.36) DPP4DPP8DPP9DPP7PDK2
SCHEMBL14730184 0.85 GPR119 (0.36) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14730290 0.83 GPR119 (0.32) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14730183 0.83 DPP4 (0.33) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14730248 0.82 PDK2 (0.35) DPP4DPP8DPP9DPP7PDK2
SCHEMBL14730358 0.81 DPP4 (0.37) DPP4DPP8DPP9DPP7CYP2D6

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