SCHEMBL27686243

SCHEMBL27686243

Cc1c(OCc2ccc(C(F)c3cccc(-c4nnn[nH]4)c3)cc2)ccc(C(C)C=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC26A3 P40879 1/20 0.30

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
SCHEMBL27686236 0.90 GRM2 (0.38) GRM2CYSLTR1MAPTCYP2C9CYP2C19
SCHEMBL27875302 0.85 GRM2 (0.51) GRM2CYSLTR1MAPTCYP2C9CYP2C19
SCHEMBL481219 0.85 GRM2 (0.52) GRM2CYSLTR1MAPTCYP2C9CYP2C19
SCHEMBL5199831 0.78 MEN1 (0.38) GRM2CYSLTR1MAPT
SCHEMBL13108391 0.76 CYSLTR1 (0.54) GRM2CYSLTR1TDP1
SCHEMBL13108399 0.76 CYSLTR1 (0.54) GRM2CYSLTR1TDP1
SCHEMBL481199 0.76 CYSLTR1 (0.54) GRM2CYSLTR1TDP1
SCHEMBL27875299 0.75 GRM2 (0.54) GRM2CYSLTR1MAPTCYP2C9CYP2C19
SCHEMBL13108387 0.74 GRM2 (0.44) GRM2CYSLTR1MAPTCYP2C9CYP2C19
SCHEMBL13108393 0.74 GRM2 (0.44) GRM2CYSLTR1MAPTCYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 CN disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed