SCHEMBL5200795

SCHEMBL5200795

CCCc1c(OCc2cccc(Sc3ncccc3-c3nn[nH]n3)c2)ccc(CC=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.55
CYSLTR1 Q9Y271 11/20 0.55
CYSLTR2 Q9NS75 3/20 0.44
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3157575 0.87 GRM2 (0.72) GRM2CYSLTR1CYSLTR2MEN1TSHR
SCHEMBL5201693 0.79 GRM2 (0.52) GRM2CYSLTR1CYSLTR2MEN1CYP1A2
SCHEMBL3174993 0.76 GRM2 (0.68) GRM2CYSLTR1CYSLTR2MEN1TSHR
SCHEMBL3166581 0.73 GRM2 (0.73) GRM2CYSLTR1CYSLTR2
SCHEMBL5199297 0.73 CYSLTR1 (0.50) GRM2CYSLTR1CYSLTR2MEN1CYP1A2
SCHEMBL3166817 0.73 GRM2 (0.73) GRM2CYSLTR1CYSLTR2
SCHEMBL5200187 0.72 MEN1 (0.51) GRM2CYSLTR1CYSLTR2MEN1CYP1A2
SCHEMBL5200521 0.72 CYSLTR1 (0.58) GRM2CYSLTR1CYSLTR2MEN1CYP1A2
SCHEMBL12993380 0.71 GRM2 (0.72) GRM2CYSLTR1CYSLTR2
SCHEMBL6245759 0.71 CYSLTR1 (0.59) GRM2CYSLTR1CYSLTR2MEN1CYP1A2

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-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed