SCHEMBL470671

SCHEMBL470671

C[C@H](Oc1cnc(N2C[C@H](c3cc(F)ccc3F)[C@@H](N)C2)nc1)C1CCN(c2nc(CCO)no2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.37
DPP4 P27487 12/20 0.36
DPP8 Q6V1X1 8/20 0.36
DPP9 Q86TI2 6/20 0.36
KCNH2 Q12809 3/20 0.36
GPR119 Q8TDV5 4/20 0.33
DPP7 Q9UHL4 8/20 0.32
FFAR1 O14842 1/20 0.32
CYP2D6 P10635 1/20 0.31
GPR183 P32249 1/20 0.31

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
SCHEMBL470695 0.93 DPP4 (0.39) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470666 0.92 DPP4 (0.40) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL461833 0.88 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470902 0.86 DPP4 (0.34) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL12064750 0.86 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470692 0.86 MCHR1 (0.36) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL462540 0.85 DPP4 (0.34) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL12064853 0.84 ALDH1A1 (0.34) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470636 0.83 MCHR1 (0.37) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL462518 0.83 DPP4 (0.43) MCHR1DPP4DPP8DPP9KCNH2

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