SCHEMBL470869

SCHEMBL470869

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.44
GPR183 P32249 1/20 0.44
HRH4 Q9H3N8 2/20 0.39
ACACB O00763 4/20 0.37
KCNH2 Q12809 3/20 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
SCHEMBL470547 0.86 GPR119 (0.45) GPR119GPR183HRH4ACACBKCNH2
SCHEMBL470522 0.80 GPR119 (0.50) GPR119GPR183KCNH2
SCHEMBL387798 0.74 GPR119 (0.77) GPR119GPR183KCNH2
SCHEMBL470651 0.74 ALOX5AP (0.36) GPR119GPR183ACACBKCNH2
SCHEMBL389269 0.74 GPR119 (0.77) GPR119GPR183KCNH2
SCHEMBL384502 0.74 GPR119 (0.77) GPR119GPR183KCNH2
SCHEMBL12064553 0.74 GPR119 (0.38) GPR119GPR183KCNH2
SCHEMBL470661 0.74 GPR119 (0.47) GPR119GPR183HRH4ACACBKCNH2
Hydrochloric Acid SCHEMBL461678 0.72 DPP4 (0.46) GPR119GPR183KCNH2
SCHEMBL12064798 0.71 GPR119 (0.40) GPR119GPR183KCNH2

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