SCHEMBL470555

SCHEMBL470555

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.39
KCNH2 Q12809 4/20 0.39
MCHR1 Q99705 3/20 0.38
GPR183 P32249 1/20 0.37
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL119963 0.89 GPR119 (0.41) GPR119KCNH2MCHR1GPR183DPP4
SCHEMBL470604 0.86 GPR119 (0.49) GPR119KCNH2MCHR1GPR183DPP4
SCHEMBL461833 0.85 MCHR1 (0.36) GPR119KCNH2MCHR1GPR183DPP4
SCHEMBL151890 0.85 GPR119 (0.42) GPR119KCNH2MCHR1GPR183DPP4
SCHEMBL121156 0.85 GPR119 (0.42) GPR119KCNH2MCHR1GPR183DPP4
SCHEMBL470907 0.85 GPR119 (0.40) GPR119KCNH2GPR183DPP4DPP8
SCHEMBL470743 0.85 GPR119 (0.36) GPR119KCNH2GPR183CYP3A4CYP2C19
SCHEMBL470695 0.83 DPP4 (0.39) GPR119KCNH2MCHR1DPP4DPP8
SCHEMBL121158 0.83 GPR119 (0.42) GPR119KCNH2MCHR1GPR183DPP4
SCHEMBL122308 0.83 GPR119 (0.41) GPR119KCNH2MCHR1GPR183DPP4

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