SCHEMBL470642

SCHEMBL470642

Bc1cnc(OCC2CCN(c3nc(C(C)C)no3)CC2)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.50
GPR183 P32249 1/20 0.49
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KCNH2 Q12809 1/20 0.44
CNR2 P34972 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
SCHEMBL461134 0.89 GPR119 (0.50) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL470560 0.80 GPR119 (0.55) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL19434281 0.77 GPR119 (0.55) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL470450 0.77 GPR119 (0.54) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL12064532 0.76 GPR119 (0.66) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL470859 0.75 GPR119 (0.40) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL461135 0.74 GPR119 (0.61) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL12064533 0.74 GPR119 (0.53) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL18843833 0.74 GPR119 (0.63) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL21665285 0.73 GPR119 (0.62) GPR119GPR183ABCB1ABCC1ABCG2

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