SCHEMBL1513541

SCHEMBL1513541

COc1cc(OC[C@@H]2Cn3ccc(=O)nc3O2)ccc1-c1cccc(C)c1C

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.74
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1513544 1.00 GRM2 (0.74) GRM2MAPTKDM4EMAPK1NPC1
SCHEMBL1513420 0.91 GRM2 (0.79) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL1513417 0.91 GRM2 (0.79) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL1513296 0.88 GRM2 (0.75) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL1513300 0.88 GRM2 (0.75) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL1513635 0.87 GRM2 (0.73) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL1513639 0.87 GRM2 (0.73) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL6902405 0.85 GRM2 (0.82) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL1513462 0.85 GRM2 (1.00) GRM2MAPTKDM4EPOLBKMT2A
SCHEMBL1513460 0.85 GRM2 (1.00) GRM2MAPTKDM4EPOLBKMT2A

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
WO-2011034828-A1 SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed
WO-2011034828-A1 SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed