SCHEMBL5776879

SCHEMBL5776879

CC(C)OC(=O)N1C=CC=Cc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.40
BCHE P06276 1/20 0.40
GRM5 P41594 2/20 0.37
GRM1 Q13255 2/20 0.37
GPR119 Q8TDV5 5/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A15 Q9H2J7 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MYC P01106 1/20 0.32

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
SCHEMBL6034220 0.77 GRM5 (0.41) P2RX4BCHEGRM5GRM1GPR119
SCHEMBL6033980 0.67 ALDH1A1 (0.42) P2RX4BCHEGRM5GRM1MAPT
SCHEMBL16342946 0.65 P2RX4 (0.46) P2RX4BCHELMNASCN9ASCN10A
SCHEMBL6110762 0.65 P2RX4 (0.46) P2RX4BCHELMNASCN9ASCN10A
SCHEMBL1383152 0.64
SCHEMBL4064728 0.64 MAPT (0.40) P2RX4BCHEGRM5GRM1GPR119
SCHEMBL13757380 0.61 DPP8 (0.56) SLC6A15
SCHEMBL27770600 0.60 L3MBTL1 (0.34) MAPTLMNAL3MBTL1MEN1ALDH1A1
SCHEMBL28423158 0.60 MAPT (0.46) MAPTLMNAL3MBTL1MEN1ALDH1A1
SCHEMBL5771784 0.60 TSHR (0.39) P2RX4BCHEALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732933-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-20 EP disclosed
WO-2005097805-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 WO disclosed