SCHEMBL462728

SCHEMBL462728

N#Cc1cnc(N2CCC(COc3cnc(N4CC(N)C(c5cc(F)ccc5F)C4)nc3)CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
DPP4 P27487 7/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
KCNH2 Q12809 2/20 0.39
DPP7 Q9UHL4 1/20 0.34
DRD4 P21917 4/20 0.34
DRD2 P14416 3/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
KIT P10721 1/20 0.33
KDM1A O60341 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
SCHEMBL12064536 0.84 MCHR1 (0.49) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470611 0.83 MCHR1 (0.49) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470572 0.80 MCHR1 (0.51) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470701 0.80 LCAT (0.31)
SCHEMBL462138 0.80 MCHR1 (0.53) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL12064733 0.77 MCHR1 (0.44) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470554 0.77 MCHR1 (0.43) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470602 0.77 MCHR1 (0.43) MCHR1DPP4DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL462044 0.76 MCHR1 (0.42) MCHR1DPP4DPP8DPP9KCNH2
SCHEMBL470531 0.76 MCHR1 (0.49) 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