SCHEMBL10245928

SCHEMBL10245928

C=C(O)c1cccc(Cc2ccc(COc3ccc(C(C)=O)c(O)c3-c3cccnc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.44
GRM2 Q14416 6/20 0.44
CYP2C9 P11712 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
SMPD1 P17405 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
LRRK2 Q5S007 4/20 0.41
PTGER1 P34995 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL481129 0.93 PTGER1 (0.47) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL10246006 0.90 CYP2C9 (0.46) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL481052 0.90 SMPD1 (0.45) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL1755744 0.87 SMPD1 (0.41) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL481341 0.87 CYSLTR1 (0.59) CYSLTR1GRM2CYSLTR2
SCHEMBL27686260 0.86 PTGER1 (0.47) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL481061 0.83 CYP2C9 (0.47) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL10245317 0.81 MAPT (0.51) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL481077 0.80 SMN1; SMN2 (0.43) CYSLTR1GRM2CYP2C9MAPTCYP2C19
SCHEMBL481369 0.80 PTGER1 (0.43) CYSLTR1GRM2CYP2C9MAPTCYP2C19

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