SCHEMBL470522

SCHEMBL470522

Bc1ccc(O[C@@H](C)C2CCN(c3nc(C(C)C)no3)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.50
GPR183 P32249 1/20 0.48
KCNH2 Q12809 3/20 0.38
CNR2 P34972 1/20 0.37
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL12064532 0.84 GPR119 (0.66) GPR119GPR183KCNH2CNR2ABCB1
SCHEMBL470547 0.82 GPR119 (0.45) GPR119GPR183KCNH2
SCHEMBL14138942 0.82 GPR119 (0.54) GPR119GPR183KCNH2CNR2ABCB1
SCHEMBL470755 0.81 GPR119 (0.53) GPR119GPR183KCNH2CNR2
SCHEMBL470623 0.81 GPR119 (0.53) GPR119GPR183CNR2
SCHEMBL470869 0.80 GPR119 (0.44) GPR119GPR183KCNH2
SCHEMBL387798 0.79 GPR119 (0.77) GPR119GPR183KCNH2
SCHEMBL384502 0.79 GPR119 (0.77) GPR119GPR183KCNH2
SCHEMBL389269 0.79 GPR119 (0.77) GPR119GPR183KCNH2
SCHEMBL470661 0.78 GPR119 (0.47) 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