SCHEMBL3376464

SCHEMBL3376464

NCC(=O)N(Cl)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.43
SLC6A9 P48067 1/20 0.43
OR51E2 Q9H255 1/20 0.43
TDP1 Q9NUW8 2/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL98566 0.74 GLRA1 (0.47) GLRA1SLC6A9OR51E2TDP1EYA2
SCHEMBL7865431 0.74 GLRA1 (0.47) GLRA1SLC6A9OR51E2TDP1EYA2
SCHEMBL8968167 0.72 GLRA1 (0.45) GLRA1SLC6A9OR51E2TDP1EYA2
SCHEMBL11715824 0.71 FFAR3 (0.46) OR51E2TDP1APPTSHRALOX15
Glycylsarcosine SCHEMBL510835 0.70 MVD (0.43) GLRA1SLC6A9OR51E2TDP1EYA2
SCHEMBL3382022 0.70 GLRA1 (0.43) GLRA1SLC6A9OR51E2TDP1EYA2
SCHEMBL28596943 0.70 GLRA1 (0.43) GLRA1SLC6A9OR51E2TDP1EYA2
SCHEMBL3876857 0.69
Glycylsarcosine SCHEMBL4161366 0.68 MVD (0.42) GLRA1SLC6A9OR51E2TDP1EYA2
Nitrilotriacetic Acid SCHEMBL4015790 0.67 GLRA1 (0.62) GLRA1SLC6A9OR51E2TDP1EYA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed