SCHEMBL5201154

SCHEMBL5201154

O=CCc1ccc(OCc2cccc(Oc3cc(-c4nn[nH]n4)ccn3)c2)c(C(F)(F)F)c1O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.75
CYSLTR1 Q9Y271 14/20 0.75
MRGPRX4 Q96LA9 3/20 0.45
CYSLTR2 Q9NS75 1/20 0.37

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
SCHEMBL5200652 0.86 GRM2 (0.59) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL3164262 0.85 CYSLTR1 (1.00) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL3171343 0.75 GRM2 (1.00) GRM2CYSLTR1CYSLTR2
SCHEMBL481322 0.71 CYSLTR1 (0.79) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL27856742 0.69 CYSLTR1 (0.61) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL5201693 0.68 GRM2 (0.52) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL13452806 0.68 GRM2 (0.71) GRM2CYSLTR1
SCHEMBL5200758 0.68 CYSLTR1 (0.44) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL481031 0.67 CYSLTR1 (0.70) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL6246211 0.67 GRM2 (0.54) GRM2CYSLTR1CYSLTR2

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
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed