SCHEMBL456972

SCHEMBL456972

CC(C)c1noc(N2CCC([C@H](C)Oc3ccc(Br)cn3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.53
GPR183 P32249 1/20 0.42
CNR2 P34972 1/20 0.37

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
SCHEMBL470623 0.87 GPR119 (0.53) GPR119GPR183CNR2
SCHEMBL458932 0.86 GPR119 (0.53) GPR119GPR183CNR2
SCHEMBL119721 0.85 GPR119 (0.46) GPR119GPR183
SCHEMBL149049 0.85 GPR119 (0.46) GPR119GPR183
SCHEMBL461992 0.84 GPR119 (0.55) GPR119GPR183CNR2
SCHEMBL12064706 0.80 GPR119 (0.54) GPR119GPR183
SCHEMBL470551 0.79 GPR119 (0.51) GPR119GPR183CNR2
SCHEMBL19435016 0.79 GPR119 (0.50) GPR119GPR183CNR2
SCHEMBL28938502 0.79 GPR119 (0.50) GPR119GPR183CNR2
SCHEMBL19457200 0.78 GPR119 (0.67) GPR119GPR183CNR2

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