SCHEMBL470858

SCHEMBL470858

C=C/C(F)=C\C=C(\F)C[C@H]1CN(c2ncc(OCC3CCN(c4nc(C(C)C)no4)CC3)c(C)n2)C[C@@H]1N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.39
GPR183 P32249 1/20 0.38
KCNH2 Q12809 3/20 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
SCHEMBL12064844 0.93 GPR119 (0.38) GPR119GPR183KCNH2
SCHEMBL470614 0.84 GPR119 (0.38) GPR119GPR183
SCHEMBL470670 0.82 GPR119 (0.36) GPR119GPR183KCNH2
SCHEMBL12064777 0.80 AOC3 (0.33) GPR119GPR183
SCHEMBL12064754 0.80 GPR119 (0.44) GPR119GPR183KCNH2
SCHEMBL12064743 0.77 GPR119 (0.38) GPR119GPR183KCNH2
SCHEMBL12064821 0.76 GPR119 (0.39) GPR119GPR183
SCHEMBL470652 0.75 GPR119 (0.42) GPR119GPR183KCNH2
SCHEMBL470559 0.73 GPR119 (0.35) GPR119KCNH2
SCHEMBL14730182 0.72 GPR119 (0.35) GPR119GPR183KCNH2

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