SCHEMBL7872016

SCHEMBL7872016

CC(N)C(CN)C(=O)O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 1/20 0.46
GABRR1 P24046 2/20 0.41
SLC7A5 Q01650 2/20 0.41
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36

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
SCHEMBL28781149 0.97
SCHEMBL3784893 0.97
SCHEMBL4738598 0.79
SCHEMBL636884 0.79
SCHEMBL16967373 0.79
Hydrochloric Acid SCHEMBL6235278 0.77 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5
Hydrochloric Acid SCHEMBL17611605 0.77 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5
SCHEMBL28781104 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1GABRR1SLC7A5
SCHEMBL9261060 0.77
SCHEMBL12492435 0.77

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
US-6313196-B1 FOR INK JET PRINTING; SMUDGE RESISTANCE AGFA-GEVAERT (BE) 2001-11-06 US disclosed