SCHEMBL458932

SCHEMBL458932

CC(C)c1noc(N2CCC([C@H](C)Oc3ncc(Br)cn3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.53
GPR183 P32249 1/20 0.42
CNR2 P34972 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL470755 0.89 GPR119 (0.53) GPR119GPR183CNR2CYP3A4CYP2C19
SCHEMBL456972 0.86 GPR119 (0.53) GPR119GPR183CNR2
SCHEMBL119888 0.84 GPR119 (0.48) GPR119GPR183CNR2KCNH2
SCHEMBL145842 0.84 GPR119 (0.48) GPR119GPR183CNR2KCNH2
SCHEMBL28938502 0.81 GPR119 (0.50) GPR119GPR183CNR2CYP3A4CYP2C19
SCHEMBL19435016 0.81 GPR119 (0.50) GPR119GPR183CNR2CYP3A4CYP2C19
SCHEMBL19457200 0.80 GPR119 (0.67) GPR119GPR183CNR2CYP3A4CYP2C19
SCHEMBL19450799 0.78 GPR119 (0.67) GPR119GPR183CNR2CYP3A4CYP2C19
SCHEMBL19449868 0.78 GPR119 (0.67) GPR119GPR183CNR2CYP3A4CYP2C19
SCHEMBL470623 0.77 GPR119 (0.53) 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