SCHEMBL10246006

SCHEMBL10246006

C=C(O)c1cccc(Cc2ccc(COc3ccc(C(C)=O)c(O)c3-c3ccncc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYSLTR1 Q9Y271 12/20 0.44
GRM2 Q14416 12/20 0.44
CYSLTR2 Q9NS75 1/20 0.42
LRRK2 Q5S007 1/20 0.39
PTGER1 P34995 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOB P27338 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
SCHEMBL481061 0.93 CYP2C9 (0.47) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL10245928 0.90 CYSLTR1 (0.44) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL481077 0.89 SMN1; SMN2 (0.43) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL481162 0.88 GRM2 (0.49) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL481386 0.87 GRM2 (0.47) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL1755718 0.86 GRM2 (0.41) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL481561 0.85 GRM2 (0.60) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL27686256 0.85 GRM2 (0.49) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL481247 0.85 MAPT (0.47) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1
SCHEMBL481129 0.83 PTGER1 (0.47) CYP2C9MAPTCYP2C19SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed