SCHEMBL8368602

SCHEMBL8368602

CCCCC(N)C(C)(N)N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
SLC1A3 P43003 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 2/20 0.36
MAPK1 P28482 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC15A1 P46059 1/20 0.32
TP53 P04637 1/20 0.32
LAP3 P28838 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
SCHEMBL29153555 0.90 OPRM1 (0.48) OPRM1SLC1A2SLC1A1DNM1SPHK1
SCHEMBL29153568 0.90 OPRM1 (0.48) OPRM1SLC1A2SLC1A1DNM1SPHK1
SCHEMBL6656925 0.84 OPRM1 (0.40) OPRM1CA2CA1SLC1A2SLC1A1
SCHEMBL10935578 0.83
SCHEMBL3676611 0.81 OPRM1 (0.42) OPRM1CA2CA1SLC1A2SLC1A1
SCHEMBL3312745 0.81 OPRM1 (0.42) OPRM1CA2CA1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL22749309 0.79 OPRM1 (0.40) OPRM1CA2CA1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL22749308 0.79 OPRM1 (0.40) OPRM1CA2CA1SLC1A2SLC1A1
SCHEMBL3299856 0.77 OPRM1 (0.39) OPRM1CA2CA1SLC1A2SLC1A1
SCHEMBL15755365 0.77 CA2 (0.41) OPRM1CA2CA1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11130840-A None JP disclosed
JP-H11130840-A SETTING AGENT FOR EPOXY RESIN AND EPOXY RESIN COMPOSITION MITSUBISHI CHEMICAL CORP 1999-05-18 JP disclosed