SCHEMBL470653

SCHEMBL470653

CC(C)c1noc(N2CCC(OCc3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.43
KCNH2 Q12809 4/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCHR1 Q99705 3/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
GPR183 P32249 1/20 0.36

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
SCHEMBL470604 0.86 GPR119 (0.49) GPR119KCNH2MCHR1DPP4DPP8
SCHEMBL12064830 0.84 GPR119 (0.41) GPR119KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL12064975 0.84 GPR119 (0.39) GPR119KCNH2CYP3A4CYP2C19GPR183
SCHEMBL119963 0.84 GPR119 (0.41) GPR119KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL470688 0.83 GPR119 (0.46) GPR119KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL470555 0.83 GPR119 (0.39) GPR119KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL14730355 0.81 MCHR1 (0.40) GPR119KCNH2MCHR1
SCHEMBL121156 0.80 GPR119 (0.42) GPR119KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL151890 0.80 GPR119 (0.42) GPR119KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL12064715 0.80 MCHR1 (0.52) GPR119KCNH2MCHR1DPP4DPP8

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