SCHEMBL6905035

SCHEMBL6905035

O=C1C=C(c2ccc(OC[C@@H]3Cn4ccc(=O)nc4O3)cc2)CCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.63
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 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
SCHEMBL1515961 1.00 GRM2 (0.63) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL6903048 0.85 GRM2 (0.62) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL6903794 0.84 GRM2 (0.62) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1516082 0.84 GRM2 (0.62) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1513447 0.83 GRM2 (0.62) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1513224 0.83 GRM2 (0.72) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1513227 0.83 GRM2 (0.72) GRM2SMN1; SMN2NPSR1KMT2APOLB
SCHEMBL1495903 0.82 GRM2 (0.72) GRM2SMN1; SMN2NPSR1KDM4EMAPT
SCHEMBL3143447 0.82 GRM2 (0.72) GRM2SMN1; SMN2NPSR1KDM4EMAPT
SCHEMBL3144375 0.82 GRM2 (0.72) GRM2SMN1; SMN2NPSR1KMT2APOLB

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-2011034832-A1 SUBSTITUTED PHENOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed