SCHEMBL3379494

SCHEMBL3379494

NCC(=O)NCC(=O)N(Br)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
TERT O14746 1/20 0.30

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
SCHEMBL24065976 0.78 MVD (0.36) GLRA1SLC6A9OR51E2TERT
SCHEMBL7633350 0.78 GLRA1 (0.32) GLRA1SLC6A9OR51E2TERT
SCHEMBL3382022 0.78 GLRA1 (0.43) GLRA1SLC6A9OR51E2
SCHEMBL11013772 0.75 MVD (0.34) GLRA1SLC6A9OR51E2TERT
SCHEMBL6841493 0.75 GLRA1 (0.30) GLRA1SLC6A9OR51E2
SCHEMBL19204219 0.74 CA1 (0.31)
SCHEMBL2819946 0.74 TERT (0.31) TERT
SCHEMBL21208006 0.74
SCHEMBL17777308 0.73
SCHEMBL19434714 0.73 GLRA1 (0.47) GLRA1SLC6A9OR51E2TERT

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed