SCHEMBL6901748

SCHEMBL6901748

O=c1ccn2c(n1)O[C@H](COc1ccc(-c3cccc4ccccc34)cc1)C2

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.75
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB3 Q05901 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1D1 P20393 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL1513661 0.88 GRM2 (0.85) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1513664 0.88 GRM2 (0.85) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL3135252 0.87 GRM2 (0.74) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL3135263 0.87 GRM2 (0.74) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1513224 0.86 GRM2 (0.72) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1513227 0.86 GRM2 (0.72) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1513654 0.86 GRM2 (0.75) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1513478 0.86 GRM2 (0.75) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1513460 0.86 GRM2 (1.00) GRM2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1513475 0.86 GRM2 (0.75) GRM2KDM4EMAPTSMN1; SMN2NPSR1

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