SCHEMBL14730289

SCHEMBL14730289

CN(C(=O)c1cnc(N2C[C@H](c3cc(F)ccc3F)[C@@H](N)C2)nc1)C1CCN(c2nc([C@@H]3CCCO3)no2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.34
DPP4 P27487 8/20 0.33
WDR5 P61964 1/20 0.32
CCR5 P51681 1/20 0.32
DPP8 Q6V1X1 6/20 0.32
DPP9 Q86TI2 6/20 0.32
DPP7 Q9UHL4 4/20 0.32
CCR3 P51677 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
VNN1 O95497 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.30
JAK2 O60674 1/20 0.30
NTRK1 P04629 1/20 0.30
HTR2A P28223 1/20 0.30
DRD3 P35462 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
SCHEMBL14730293 0.95 DPP4 (0.32) MCHR1DPP4WDR5DPP8DPP9
SCHEMBL14730365 0.93 MCHR1 (0.34) MCHR1DPP4DPP8DPP9DPP7
SCHEMBL14730184 0.90 GPR119 (0.36) MCHR1DPP4CCR5DPP8DPP9
SCHEMBL14730207 0.86 NTRK1 (0.34) WDR5MEN1KMT2AVNN1NTRK1
SCHEMBL14730299 0.86 DPP4 (0.37) MCHR1DPP4CCR5DPP8DPP9
SCHEMBL14730287 0.85 ALOX5AP (0.37) MCHR1DPP4CCR5DPP8DPP9
SCHEMBL14730186 0.85 GPR119 (0.36) MCHR1DPP4WDR5DPP8DPP9
SCHEMBL14730183 0.83 DPP4 (0.33) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL12064566 0.82 MCHR1 (0.35) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL14730360 0.82 MCHR1 (0.36) MCHR1DPP4CCR5DPP8DPP9

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