SCHEMBL20375586

SCHEMBL20375586

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
MME P08473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ENPEP Q07075 2/20 0.33
ECE1 P42892 1/20 0.33

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
SCHEMBL11119411 1.00 SLC22A6 (0.37) SLC22A6GABRR1LMNACACNA2D1CACNB3
SCHEMBL13707889 0.85 CACNA2D1 (0.36) SLC22A6GABRR1LMNACACNA2D1CACNB3
SCHEMBL5144356 0.85 ECE1 (0.45) ECE1
SCHEMBL5430130 0.85 ECE1 (0.45) ECE1
SCHEMBL17772921 0.85 CACNA2D1 (0.36) SLC22A6GABRR1LMNACACNA2D1CACNB3
SCHEMBL2916475 0.83 MME (0.44) SLC22A6MMESMN1; SMN2
SCHEMBL3995863 0.83 MME (0.44) SLC22A6MMESMN1; SMN2
SCHEMBL7745087 0.80 TGFBR1 (0.34) SLC22A6GABRR1LMNACACNA2D1CACNB3
SCHEMBL4576097 0.78 CA1 (0.34) ECE1
SCHEMBL22215185 0.78 CA1 (0.34) ECE1

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-2018127699-A1 COMPOUNDS FOR TREATING CANCER Bicyclerd Limited (GB) 2018-07-12 WO disclosed