SCHEMBL6597445

SCHEMBL6597445

CN(C)C(=O)Oc1ccc(CN(N)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 3/20 0.46
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
BCHE P06276 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 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
SCHEMBL6594388 0.85 RAB9A (0.54) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL4199035 0.80 HTT (0.54) RAB9AKMT2AALDH1A1NPSR1ACHE
SCHEMBL8519147 0.80 RAB9A (0.70) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL22356003 0.80 RAB9A (0.70) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL6450091 0.78 RAB9A (1.00) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL2203220 0.78 RAB9A (0.73) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL13774087 0.78 RAB9A (0.73) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL8600195 0.77 RAB9A (0.66) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL3059076 0.77 ACHE (0.68) RAB9AKMT2AALDH1A1PKMGAA
SCHEMBL723132 0.77 RAB9A (0.66) RAB9AKMT2AALDH1A1PKMGAA

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-1244663-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-08-25 EP disclosed