SCHEMBL470706

SCHEMBL470706

N[C@H]1CN(c2ncc(CCC3CCN(c4ncc(Cl)cn4)CC3)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
DPP4 P27487 12/20 0.41
DPP8 Q6V1X1 5/20 0.41
DPP9 Q86TI2 4/20 0.41
KCNH2 Q12809 1/20 0.41
DPP7 Q9UHL4 4/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL12064536 0.85 MCHR1 (0.49) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL120059 0.81 GPR119 (0.47) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL121289 0.77 MCHR1 (0.44) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470611 0.77 MCHR1 (0.49) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL12064746 0.77 MCHR1 (0.44) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL462518 0.75 DPP4 (0.43) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL149798 0.73 GPR119 (0.43) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL462138 0.72 MCHR1 (0.53) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470665 0.72 GPR119 (0.40) KCNH2GPR119
SCHEMBL470618 0.72 MCHR1 (0.43) MCHR1DPP4DPP8DPP9KCNH2

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