SCHEMBL470700

SCHEMBL470700

CC(C)c1noc(N2CCC(COc3cnc(N4C[C@H](c5ccccc5)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.53
GPR183 P32249 1/20 0.53
KCNH2 Q12809 2/20 0.42
CNR2 P34972 1/20 0.36
ACACB O00763 2/20 0.36
KDM1A O60341 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
DPP4 P27487 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
SCHEMBL470613 0.85 GPR119 (0.49) GPR119GPR183KCNH2DPP4
SCHEMBL470604 0.84 GPR119 (0.49) GPR119GPR183KCNH2DPP4
SCHEMBL470648 0.84 GPR119 (0.49) GPR119GPR183KCNH2DPP4
SCHEMBL470632 0.83 GPR119 (0.58) GPR119GPR183KCNH2ACACBABCB1
SCHEMBL470621 0.83 GPR119 (0.50) GPR119GPR183KCNH2ABCB1ABCC1
SCHEMBL122256 0.80 GPR119 (0.42) GPR119GPR183KCNH2CNR2
SCHEMBL463038 0.78 GPR119 (0.50) GPR119GPR183KCNH2ACACB
SCHEMBL463040 0.78 GPR119 (0.50) GPR119GPR183KCNH2ACACB
SCHEMBL120082 0.77 GPR119 (0.41) GPR119GPR183KCNH2DPP4
SCHEMBL148585 0.77 GPR119 (0.41) GPR119GPR183KCNH2DPP4

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