SCHEMBL470627

SCHEMBL470627

CC(C)c1noc(N2CCC(COc3cnc(N4C[C@H](NCl)[C@@H](C5=CC(F)C(F)C=C5F)C4)cn3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.44
GPR183 P32249 1/20 0.43
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL470659 0.79 GPR119 (0.39) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL11956897 0.77 GPR119 (0.51) GPR119GPR183
SCHEMBL12064821 0.77 GPR119 (0.39) GPR119GPR183
SCHEMBL470652 0.76 GPR119 (0.42) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL470626 0.74 GPR119 (0.49) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL1093043 0.74 GPR119 (0.56) GPR119GPR183KCNH2
SCHEMBL470450 0.74 GPR119 (0.54) GPR119GPR183KCNH2
SCHEMBL470544 0.73 GPR119 (0.50) GPR119GPR183KCNH2
SCHEMBL461663 0.72 GPR119 (0.54) GPR119GPR183KCNH2
SCHEMBL1103855 0.71 GPR119 (0.46) 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