SCHEMBL1755729

SCHEMBL1755729

CCC(=O)c1ccc(OCc2cccc(C(OC3CCCCO3)c3cccc(N)c3)c2)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8264747 0.95 GRM2 (0.37) GRM2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL10247349 0.92 MAPT (0.47) GRM2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL481462 0.89 HTR6 (0.39) GRM2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1755705 0.86 PTGER4 (0.38)
SCHEMBL481416 0.85 PTGER4 (0.39) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL480816 0.85 HTR6 (0.36) GRM2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1755708 0.84 GRM2 (0.39) GRM2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL481096 0.84 GRM2 (0.36) GRM2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1755706 0.83 CYSLTR1 (0.46) GRM2MAPT
SCHEMBL480993 0.81 MAPT (0.46) GRM2MAPTCYP2C9CYP2C19SMN1; SMN2

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-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed