SCHEMBL14730299

SCHEMBL14730299

CN(C(=O)c1cnc(N2C[C@H](c3cc(F)ccc3F)[C@@H](N)C2)nc1)C1CCN(c2nc(C(F)(F)F)no2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.37
DPP7 Q9UHL4 8/20 0.37
DPP9 Q86TI2 5/20 0.37
DPP8 Q6V1X1 5/20 0.37
MCHR1 Q99705 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
KCNH2 Q12809 4/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX5AP P20292 1/20 0.36
EGFR P00533 1/20 0.35
KCNE1 P15382 1/20 0.35
VNN1 O95497 1/20 0.35
CCR5 P51681 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL14730287 0.95 ALOX5AP (0.37) DPP4DPP7DPP9DPP8MCHR1
SCHEMBL14730242 0.90 ALOX5AP (0.36) DPP4DPP7DPP9DPP8GPR119
SCHEMBL14730184 0.90 GPR119 (0.36) DPP4DPP7DPP9DPP8MCHR1
SCHEMBL14730285 0.87 DPP4 (0.43) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL14730250 0.87 DPP4 (0.36) DPP4DPP7DPP9DPP8MCHR1
SCHEMBL14730359 0.87 MCHR1 (0.36) DPP4DPP7DPP9DPP8MCHR1
SCHEMBL14730284 0.87 MCHR1 (0.36) DPP4DPP7DPP9DPP8MCHR1
SCHEMBL14730371 0.86 MCHR1 (0.35) DPP4DPP7DPP9DPP8MCHR1
SCHEMBL14730289 0.86 MCHR1 (0.34) DPP4DPP7DPP9DPP8MCHR1
SCHEMBL14730186 0.84 GPR119 (0.36) DPP4DPP7DPP9DPP8MCHR1

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