SCHEMBL28315993

SCHEMBL28315993

CC(C)[C@H](N)C(=O)O[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
COMT P21964 1/20 0.32
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
LAP3 P28838 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
SCHEMBL29027401 0.98 SLC7A5 (0.39) SLC7A5COMTDPP4FAPDPP8
Ethylene Glycol SCHEMBL168081 0.92 SLC7A5 (0.35) SLC7A5COMT
1,4-Butanediol SCHEMBL167938 0.89 SLC7A5 (0.33) SLC7A5COMT
SCHEMBL8982017 0.82
Cadaverine Tartrate SCHEMBL1685942 0.81 SLC7A5 (0.35) SLC7A5
SCHEMBL7111510 0.77
SCHEMBL2187903 0.76 SLC7A5 (0.35) SLC7A5
SCHEMBL257131 0.75 PTGS2 (0.43) SLC7A5COMT
SCHEMBL166762 0.75 PTGS2 (0.43) SLC7A5COMT
SCHEMBL257159 0.75 PTGS2 (0.43) SLC7A5COMT

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
CN-110072844-A Compounds for the treatment of infections with Mannheim haemolytica or histophilus somni 英特维特国际股份有限公司 2019-07-30 CN disclosed