SCHEMBL463040

SCHEMBL463040

CC(C)c1noc(N2CCC(COc3cnc(N4C[C@@H](N)[C@H](n5cc(F)ccc5=O)C4)nc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.50
GPR183 P32249 1/20 0.50
KCNH2 Q12809 3/20 0.40
ACACB O00763 2/20 0.34
MET P08581 2/20 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
SCHEMBL463038 1.00 GPR119 (0.50) GPR119GPR183KCNH2ACACBMET
SCHEMBL463157 0.81 GPR119 (0.31) GPR119GPR183KCNH2
SCHEMBL463156 0.81 GPR119 (0.31) GPR119GPR183KCNH2
SCHEMBL463158 0.81 GPR119 (0.31) GPR119GPR183KCNH2
SCHEMBL470604 0.81 GPR119 (0.49) GPR119GPR183KCNH2
SCHEMBL463039 0.79 GPR119 (0.32) GPR119KCNH2MET
SCHEMBL470700 0.78 GPR119 (0.53) GPR119GPR183KCNH2ACACB
SCHEMBL470632 0.78 GPR119 (0.58) GPR119GPR183KCNH2ACACB
SCHEMBL470613 0.78 GPR119 (0.49) GPR119GPR183KCNH2
SCHEMBL470648 0.77 GPR119 (0.49) 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