SCHEMBL470648

SCHEMBL470648

CC(C)c1noc(N2CCC(COc3cnc(N4C[C@H](c5cc(Cl)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.49
GPR183 P32249 1/20 0.49
KCNH2 Q12809 3/20 0.42
DPP4 P27487 3/20 0.40
MCHR1 Q99705 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 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
SCHEMBL470604 0.93 GPR119 (0.49) GPR119GPR183KCNH2DPP4MCHR1
SCHEMBL470621 0.92 GPR119 (0.50) GPR119GPR183KCNH2DPP4MCHR1
SCHEMBL470613 0.91 GPR119 (0.49) GPR119GPR183KCNH2DPP4MCHR1
SCHEMBL12064715 0.86 MCHR1 (0.52) GPR119GPR183KCNH2DPP4MCHR1
SCHEMBL470688 0.84 GPR119 (0.46) GPR119GPR183KCNH2DPP4MCHR1
SCHEMBL470700 0.84 GPR119 (0.53) GPR119GPR183KCNH2DPP4
SCHEMBL121162 0.83 GPR119 (0.42) GPR119GPR183KCNH2DPP4MCHR1
SCHEMBL119963 0.82 GPR119 (0.41) GPR119GPR183KCNH2DPP4MCHR1
SCHEMBL122256 0.82 GPR119 (0.42) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL470629 0.81 GPR119 (0.45) GPR119GPR183KCNH2DPP4MCHR1

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