SCHEMBL5789160

SCHEMBL5789160

COC[C@](O)(C(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNN4 O15554 6/20 0.44
HTT P42858 1/20 0.42
CES1 P23141 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CYP1A2 P05177 1/20 0.38
KIF11 P52732 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL29882115 0.81 CHRM3 (0.50) MAPTKMT2AKCNN4HTTCES1
SCHEMBL6529365 0.80 MAPT (0.53) MAPTKMT2AKCNN4HTTCES1
SCHEMBL9718716 0.80 CES1 (0.56) MAPTKMT2AKCNN4CES1CYP2C19
SCHEMBL3837958 0.79 MAPT (0.55) MAPTKMT2AKCNN4HTTCYP2C19
SCHEMBL27602772 0.79 MAPT (0.50) MAPTKMT2AKCNN4HTTCYP2C19
SCHEMBL13946506 0.79 MAPT (0.55) MAPTKMT2AKCNN4HTTCYP2C19
SCHEMBL13946510 0.79 MAPT (0.55) MAPTKMT2AKCNN4HTTCYP2C19
SCHEMBL11251 0.77 HTT (0.50) MAPTKMT2AKCNN4HTTCES1
SCHEMBL5788809 0.77 MAPT (0.46) MAPTKMT2AKCNN4HTTCYP2C19
SCHEMBL3994296 0.76 MAPT (0.57) MAPTKMT2AKCNN4HTTCYP2C19

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-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO disclosed