SCHEMBL470520

SCHEMBL470520

C[C@H](Oc1cnc(N2C[C@H](c3cc(F)ccc3F)[C@@H](N)C2)nc1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.42
DPP8 Q6V1X1 5/20 0.41
MCHR1 Q99705 3/20 0.41
KCNH2 Q12809 1/20 0.41
DPP9 Q86TI2 1/20 0.41
INPPL1 O15357 1/20 0.39
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
FAP Q12884 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL462518 0.86 DPP4 (0.43) DPP4DPP8MCHR1KCNH2DPP9
SCHEMBL462389 0.84 MCHR1 (0.41) DPP4DPP8MCHR1KCNH2DPP9
SCHEMBL470572 0.83 MCHR1 (0.51) DPP4DPP8MCHR1KCNH2DPP9
Hydrochloric Acid SCHEMBL462388 0.83 MCHR1 (0.40) DPP4DPP8MCHR1KCNH2DPP9
SCHEMBL12064760 0.82 MCHR1 (0.39) DPP4DPP8MCHR1KCNH2DPP9
SCHEMBL470839 0.82 MCHR1 (0.38) DPP4DPP8MCHR1KCNH2DPP9
SCHEMBL470695 0.80 DPP4 (0.39) DPP4DPP8MCHR1KCNH2DPP9
SCHEMBL470601 0.80 NTRK1 (0.38)
SCHEMBL461833 0.80 MCHR1 (0.36) DPP4DPP8MCHR1KCNH2DPP9
SCHEMBL470603 0.79 MCHR1 (0.36) DPP4DPP8MCHR1KCNH2DPP9

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed