SCHEMBL462499

SCHEMBL462499

Cc1nc(Cl)ncc1OCC1CCN(c2nc(C(C)C)no2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.53
GPR183 P32249 1/20 0.51
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CNR2 P34972 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL461135 0.86 GPR119 (0.61) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL147121 0.85 GPR119 (0.45) GPR119GPR183CNR2KCNH2
SCHEMBL121725 0.85 GPR119 (0.45) GPR119GPR183CNR2KCNH2
SCHEMBL461809 0.82 GPR119 (0.54) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL12064533 0.81 GPR119 (0.53) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL18574755 0.79 GPR119 (0.66) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL21665285 0.78 GPR119 (0.62) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL120996 0.77 GPR119 (0.52) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL18843833 0.77 GPR119 (0.63) GPR119GPR183ABCB1ABCC1ABCG2
SCHEMBL470450 0.76 GPR119 (0.54) 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