SCHEMBL6903559

SCHEMBL6903559

O=c1ccn2c(n1)O[C@H](COc1ccc(-c3ccc(Cl)cc3Cl)cc1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.66
FFAR1 O14842 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GALR3 O60755 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DGAT1 O75907 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 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
SCHEMBL1513390 0.89 GRM2 (0.65) GRM2SMN1; SMN2KDM4ENPSR1PRKAB2
SCHEMBL1513394 0.89 GRM2 (0.65) GRM2SMN1; SMN2KDM4ENPSR1PRKAB2
SCHEMBL3135252 0.88 GRM2 (0.74) GRM2FFAR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3135263 0.88 GRM2 (0.74) GRM2FFAR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3134492 0.88 GRM2 (0.73) GRM2SMN1; SMN2KDM4ELMNAHTT
SCHEMBL1513388 0.85 GRM2 (0.67) GRM2FFAR1SMN1; SMN2KDM4ENPSR1
SCHEMBL1513391 0.85 GRM2 (0.67) GRM2FFAR1SMN1; SMN2KDM4ENPSR1
SCHEMBL1513672 0.84 GRM2 (0.74) GRM2SMN1; SMN2KDM4ENPSR1DGAT1
SCHEMBL1513675 0.84 GRM2 (0.74) GRM2SMN1; SMN2KDM4ENPSR1DGAT1
SCHEMBL1513651 0.84 GRM2 (0.68) GRM2SMN1; SMN2KDM4ENPSR1POLB

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