SCHEMBL8021744

SCHEMBL8021744

CCCCCC(N)C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
SPHK1 Q9NYA1 2/20 0.45
TP53 P04637 2/20 0.43
LAP3 P28838 2/20 0.43
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8024764 0.93
SCHEMBL4858711 0.82
SCHEMBL23358943 0.81 OPRM1 (0.48) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL6301888 0.81 OPRM1 (0.48) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL11572928 0.79 GRIK1 (0.48) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL23358919 0.79 SPHK1 (0.48) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL23358938 0.79 SPHK1 (0.48) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL8021739 0.79 OPRM1 (0.46) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL23358933 0.79 SPHK1 (0.48) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL6307669 0.79 GRIK1 (0.48) OPRM1SPHK1TP53LAP3GRIK1

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