SCHEMBL1513439

SCHEMBL1513439

Cc1ccc(-c2ccc(OCC3Cn4ccc(=O)nc4O3)cc2)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.70
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRM5 P41594 1/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTR2A P28223 1/20 0.35
HCRTR2 O43614 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CALML3 P27482 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
SCHEMBL1513435 1.00 GRM2 (0.70) GRM2SMN1; SMN2NPSR1GRM5POLB
SCHEMBL6901412 0.92 GRM2 (0.72) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL6901354 0.86 GRM2 (0.75) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL6903582 0.85 GRM2 (0.68) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1513873 0.85 GRM2 (0.68) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1513473 0.85 GRM2 (0.68) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1513651 0.85 GRM2 (0.68) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1513476 0.85 GRM2 (0.68) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1513610 0.85 GRM2 (0.70) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1513606 0.85 GRM2 (0.70) GRM2SMN1; SMN2NPSR1POLBKMT2A

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