SCHEMBL5199133

SCHEMBL5199133

O=CCc1ccc(OCc2ccc(C(O)c3cccc(-c4nn[nH]n4)c3)cc2)c(-c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.43
GRM2 Q14416 4/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.38

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
SCHEMBL5200758 0.89 CYSLTR1 (0.44) CYSLTR1GRM2MRGPRX4CYSLTR2
SCHEMBL3862884 0.89 CYSLTR1 (0.40) CYSLTR1GRM2MRGPRX4CYSLTR2
SCHEMBL5202571 0.85 CYSLTR1 (0.48) CYSLTR1GRM2MRGPRX4CYSLTR2
SCHEMBL481338 0.85 CYSLTR1 (0.59) CYSLTR1GRM2CYSLTR2
SCHEMBL27686392 0.84 CYSLTR1 (0.47) CYSLTR1GRM2MRGPRX4CYSLTR2
SCHEMBL481082 0.79 CYSLTR1 (0.56) CYSLTR1GRM2CYSLTR2
SCHEMBL481648 0.77 CYSLTR1 (0.56) CYSLTR1GRM2CYSLTR2
SCHEMBL481374 0.77 CYSLTR1 (0.56) CYSLTR1GRM2CYSLTR2
SCHEMBL13645726 0.75 CYSLTR1 (0.63) CYSLTR1GRM2MRGPRX4CYSLTR2
SCHEMBL480843 0.75 CYSLTR1 (0.60) CYSLTR1GRM2CYSLTR2

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-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed