SCHEMBL8024619

SCHEMBL8024619

CC(C)CCC(N)C(N)=S

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
SLC7A5 Q01650 1/20 0.32
ANPEP P15144 2/20 0.31
RNPEP Q9H4A4 2/20 0.31
DNPEP Q9ULA0 1/20 0.31

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
SCHEMBL1146637 0.79 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1CA12CA1
SCHEMBL8024617 0.77 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1CA12CA1
SCHEMBL13723522 0.76
SCHEMBL4858711 0.76
SCHEMBL21550185 0.76
SCHEMBL11695779 0.74 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL8024764 0.72
SCHEMBL2140112 0.70
SCHEMBL8021744 0.70 OPRM1 (0.48) SLC1A2SLC1A1
SCHEMBL255211 0.68 SLC1A3 (0.65) SLC1A3SLC1A2SLC1A1SLC7A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed