SCHEMBL470860

SCHEMBL470860

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.43
GPR119 Q8TDV5 11/20 0.40
KCNH2 Q12809 5/20 0.38
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
EGFR P00533 1/20 0.37
KCNE1 P15382 1/20 0.37
GPR183 P32249 1/20 0.36
ACHE P22303 2/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL470604 0.87 GPR119 (0.49) MCHR1GPR119KCNH2DPP4DPP8
Hydrochloric Acid SCHEMBL462044 0.86 MCHR1 (0.42) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL470618 0.86 MCHR1 (0.43) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL470612 0.85 MCHR1 (0.45) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL12064733 0.82 MCHR1 (0.44) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL470611 0.82 MCHR1 (0.49) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL470554 0.82 MCHR1 (0.43) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL12064536 0.81 MCHR1 (0.49) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL470692 0.81 MCHR1 (0.36) MCHR1GPR119KCNH2DPP4DPP8
SCHEMBL12064750 0.81 MCHR1 (0.36) MCHR1GPR119KCNH2DPP4DPP8

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