SCHEMBL470547

SCHEMBL470547

CC(C)c1noc(N2CCC([C@H](C)Oc3ccc(N4CC[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.45
GPR183 P32249 1/20 0.44
KCNH2 Q12809 3/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LRRK2 Q5S007 2/20 0.37
MCHR1 Q99705 1/20 0.37
RET P07949 2/20 0.36
ACACB O00763 1/20 0.36
PTPN11 Q06124 1/20 0.35

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
SCHEMBL470661 0.87 GPR119 (0.47) GPR119GPR183KCNH2HRH4HRH3
SCHEMBL470869 0.86 GPR119 (0.44) GPR119GPR183KCNH2HRH4ACACB
SCHEMBL470522 0.82 GPR119 (0.50) GPR119GPR183KCNH2
SCHEMBL12064553 0.81 GPR119 (0.38) GPR119GPR183KCNH2
Hydrochloric Acid SCHEMBL461678 0.78 DPP4 (0.46) GPR119GPR183KCNH2
SCHEMBL13186691 0.77 GPR119 (0.43) GPR119GPR183KCNH2HRH4HRH3
SCHEMBL13186518 0.77 GPR119 (0.44) GPR119GPR183KCNH2HRH4HRH3
SCHEMBL13186853 0.76 GPR119 (0.42) GPR119GPR183KCNH2HRH4HRH3
SCHEMBL470632 0.75 GPR119 (0.58) GPR119GPR183KCNH2ACACB
SCHEMBL470585 0.75 GPR119 (0.35) GPR119GPR183KCNH2HRH4HRH3

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