SCHEMBL461248

SCHEMBL461248

CC(C)c1noc(N2CC[C@@H](COc3cnc(Cl)nc3)[C@@H](F)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.45
GPR183 P32249 1/20 0.45
KCNH2 Q12809 3/20 0.43
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL461247 1.00 GPR119 (0.45) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461250 1.00 GPR119 (0.45) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL470583 0.90 GPR119 (0.47) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461158 0.89 GPR119 (0.50) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461160 0.89 GPR119 (0.50) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461159 0.89 GPR119 (0.50) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461087 0.87 GPR119 (0.45) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461086 0.87 GPR119 (0.45) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461089 0.87 GPR119 (0.45) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL461135 0.83 GPR119 (0.61) GPR119GPR183KCNH2ABCB1ABCC1

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 2 patents. 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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed