SCHEMBL470559

SCHEMBL470559

C=C/C(F)=C\C=C(\F)C[C@H]1CN(c2ncc(OCC3CCN(c4ncc(Cl)cn4)CC3)cn2)C[C@@H]1N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.35
KCNH2 Q12809 2/20 0.35
AOC3 Q16853 3/20 0.34
ACACB O00763 2/20 0.33
TIPARP Q7Z3E1 3/20 0.32
TRPC6 Q9Y210 1/20 0.30

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
SCHEMBL12064777 0.84 AOC3 (0.33) GPR119AOC3
SCHEMBL470614 0.83 GPR119 (0.38) GPR119ACACB
SCHEMBL12064729 0.78 AOC3 (0.33) AOC3ACACB
SCHEMBL12064773 0.76 ACACB (0.35) ACACB
SCHEMBL470858 0.73 GPR119 (0.39) GPR119KCNH2
SCHEMBL12064844 0.73 GPR119 (0.38) GPR119KCNH2
SCHEMBL14730190 0.72 HDAC6 (0.33)
SCHEMBL470593 0.72 GPR119 (0.37) GPR119ACACB
SCHEMBL12064754 0.72 GPR119 (0.44) GPR119KCNH2ACACB
SCHEMBL12064536 0.69 MCHR1 (0.49) GPR119KCNH2

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