SCHEMBL9611232

SCHEMBL9611232

CC(CC(C)C(N)=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
SLC7A5 Q01650 1/20 0.38
ENPEP Q07075 2/20 0.37
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
EPHX1 P07099 2/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC1A1 P43005 1/20 0.33
CACNA2D1 P54289 2/20 0.32
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL8862423 0.89 ENPEP (0.52) GABRR1SLC7A5ENPEPBLMSLC1A3
SCHEMBL25098363 0.89 LMNA (0.35) GABRR1SLC7A5ENPEPLMNAALOX15
SCHEMBL277545 0.88
SCHEMBL15451687 0.88
SCHEMBL15984867 0.88
SCHEMBL21764555 0.87 ENPEP (0.31) GABRR1SLC7A5ENPEP
SCHEMBL23960528 0.85
SCHEMBL19642620 0.85
SCHEMBL22996096 0.85
SCHEMBL20224932 0.85

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-2457916-A1 Compound for the covalent attachment of the chemiluminescent probe N-(4-Aminobutyl)-N-ethylisoluminol (ABEI) to target molecules and uses thereof DiaSorin S.p.A. (IT) 2012-05-30 EP disclosed