SCHEMBL5198543

SCHEMBL5198543

CCCc1c(OCc2ccc(CCc3cccc(C#N)c3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.53
CYSLTR2 Q9NS75 2/20 0.53
GRM2 Q14416 10/20 0.52
CTSD P07339 1/20 0.49
MAPT P10636 2/20 0.47
CYP2C9 P11712 2/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL10751332 0.94 CYSLTR1 (0.58) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL481236 0.93 CYSLTR1 (0.52) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL481285 0.89 CYSLTR1 (0.51) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL481139 0.88 CYSLTR1 (0.53) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL3163772 0.87 CYSLTR1 (0.50) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL5199586 0.87 CTSD (0.52) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL3163343 0.86 CYSLTR1 (0.49) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL481102 0.86 CYSLTR1 (0.49) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL481206 0.86 CYSLTR1 (0.49) CYSLTR1CYSLTR2GRM2CTSDMAPT
SCHEMBL481489 0.86 CYSLTR1 (0.51) CYSLTR1CYSLTR2GRM2CTSDMAPT

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