SCHEMBL470618

SCHEMBL470618

CC(F)(F)c1nc(N2CCC(COc3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)CC2)no1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.43
ACACB O00763 2/20 0.40
ACACA Q13085 1/20 0.39
DPP4 P27487 4/20 0.38
KCNH2 Q12809 3/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
GPR119 Q8TDV5 4/20 0.37
ACHE P22303 3/20 0.35
KIT P10721 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
DPP7 Q9UHL4 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 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
SCHEMBL12064733 0.88 MCHR1 (0.44) MCHR1ACACBACACADPP4KCNH2
SCHEMBL470554 0.87 MCHR1 (0.43) MCHR1ACACBDPP4KCNH2DPP8
SCHEMBL470860 0.86 MCHR1 (0.43) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470640 0.85 MCHR1 (0.36) MCHR1ACACBACACAKCNH2GPR119
SCHEMBL470611 0.85 MCHR1 (0.49) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL12064536 0.84 MCHR1 (0.49) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470604 0.82 GPR119 (0.49) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL14730362 0.81 DPP4 (0.36) MCHR1DPP4KCNH2DPP8DPP9
Hydrochloric Acid SCHEMBL462044 0.81 MCHR1 (0.42) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470612 0.80 MCHR1 (0.45) MCHR1DPP4KCNH2DPP8DPP9

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