SCHEMBL5202571

SCHEMBL5202571

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.48
GRM2 Q14416 9/20 0.48
CYSLTR2 Q9NS75 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
CREBBP Q92793 1/20 0.40

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
SCHEMBL481468 0.85 CYSLTR1 (0.63) CYSLTR1GRM2CYSLTR2CREBBP
SCHEMBL5199133 0.85 CYSLTR1 (0.43) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL27856743 0.85 CYSLTR1 (0.49) CYSLTR1GRM2CYSLTR2MRGPRX4CREBBP
SCHEMBL28765668 0.83 CYSLTR1 (0.50) CYSLTR1GRM2CYSLTR2MRGPRX4CREBBP
SCHEMBL5199386 0.81 CYSLTR1 (0.47) CYSLTR1GRM2CYSLTR2MRGPRX4CREBBP
SCHEMBL5200521 0.76 CYSLTR1 (0.58) CYSLTR1GRM2CYSLTR2
SCHEMBL481203 0.75 GRM2 (0.63) CYSLTR1GRM2CYSLTR2MRGPRX4CREBBP
SCHEMBL3862884 0.75 CYSLTR1 (0.40) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL5200758 0.74 CYSLTR1 (0.44) CYSLTR1GRM2CYSLTR2MRGPRX4CREBBP
SCHEMBL13108357 0.74 CYSLTR1 (0.79) 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