SCHEMBL8068322

SCHEMBL8068322

CC(C)c1noc(N2CCC(CCCOc3ccc([C@@H](N)C(=O)N4CCC[C@H]4N)cc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.49
KCNH2 Q12809 1/20 0.43
GPR183 P32249 1/20 0.42
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL8066630 1.00 GPR119 (0.49) GPR119KCNH2GPR183HRH2HRH1
SCHEMBL2895122 0.91 GPR119 (0.47) GPR119KCNH2GPR183
SCHEMBL3651584 0.91 GPR119 (0.47) GPR119KCNH2GPR183
SCHEMBL2900087 0.91 GPR119 (0.47) GPR119KCNH2GPR183
SCHEMBL2895119 0.91 GPR119 (0.47) GPR119KCNH2GPR183
SCHEMBL2897711 0.89 GPR119 (0.52) GPR119KCNH2GPR183HRH2HRH1
SCHEMBL8071988 0.88 GPR119 (0.41) GPR119KCNH2GPR183HRH2HRH1
SCHEMBL13067892 0.88 GPR119 (0.49) GPR119KCNH2GPR183HRH3
SCHEMBL8071087 0.88 GPR119 (0.49) GPR119KCNH2GPR183HRH3
SCHEMBL8066261 0.86 GPR119 (0.44) GPR119KCNH2GPR183HRH2HRH1

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-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO disclosed