SCHEMBL470907

SCHEMBL470907

Cc1ccc(F)c([C@H]2CN(c3ncc(O[C@@H](C)C4CCN(c5nc(C(C)C)no5)CC4)cn3)C[C@@H]2N)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.40
KCNH2 Q12809 4/20 0.40
GPR183 P32249 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
DPP4 P27487 3/20 0.34
CYP2D6 P10635 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL470902 0.90 DPP4 (0.34) GPR119KCNH2GPR183DPP4CYP2D6
SCHEMBL470656 0.89 ALOX5AP (0.34) GPR119KCNH2DPP4CYP2D6DPP8
SCHEMBL461833 0.87 MCHR1 (0.36) GPR119KCNH2GPR183DPP4CYP2D6
SCHEMBL470644 0.86 GPR119 (0.40) GPR119KCNH2GPR183CYP3A4CYP2C19
SCHEMBL470555 0.85 GPR119 (0.39) GPR119KCNH2GPR183CYP3A4CYP2C19
SCHEMBL470633 0.85 DPP4 (0.41) KCNH2DPP4CYP2D6DPP8DPP7
SCHEMBL470577 0.85 DPP4 (0.41) KCNH2DPP4CYP2D6DPP8DPP7
SCHEMBL12064983 0.84 GPR119 (0.36) GPR119KCNH2GPR183CYP3A4CYP2C19
SCHEMBL470695 0.83 DPP4 (0.39) GPR119KCNH2DPP4DPP8DPP7
SCHEMBL119963 0.83 GPR119 (0.41) GPR119KCNH2GPR183CYP3A4CYP2C19

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