SCHEMBL470661

SCHEMBL470661

CC(C)c1noc(N2CCC([C@H](C)Oc3cnc(N4CC[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.47
GPR183 P32249 1/20 0.44
KCNH2 Q12809 4/20 0.42
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ACACB O00763 1/20 0.35
CAMK1D Q8IU85 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PIP5K1C O60331 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RIPK4 P57078 1/20 0.34
MAP2K5 Q13163 1/20 0.34
CAMK1 Q14012 1/20 0.34
MAP3K11 Q16584 1/20 0.34
PNCK Q6P2M8 1/20 0.34
CAMK1G Q96NX5 1/20 0.34

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 0.87 GPR119 (0.45) GPR119GPR183KCNH2HRH4HRH3
SCHEMBL470585 0.87 GPR119 (0.35) GPR119GPR183KCNH2HRH4HRH3
SCHEMBL13186518 0.87 GPR119 (0.44) GPR119GPR183KCNH2HRH4HRH3
SCHEMBL470632 0.85 GPR119 (0.58) GPR119GPR183KCNH2ACACB
SCHEMBL12064841 0.81 GPR119 (0.41) GPR119GPR183KCNH2CYP2C19
SCHEMBL470644 0.80 GPR119 (0.40) GPR119GPR183KCNH2CYP2C19
SCHEMBL470522 0.78 GPR119 (0.50) GPR119GPR183KCNH2
SCHEMBL470907 0.78 GPR119 (0.40) GPR119GPR183KCNH2CYP2C19
Hydrochloric Acid SCHEMBL461931 0.77 DPP4 (0.49) GPR119GPR183KCNH2
SCHEMBL470659 0.77 GPR119 (0.39) GPR119GPR183KCNH2CYP2C19

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