SCHEMBL8931592

SCHEMBL8931592

NCCCN(CC1COc2cccnc2O1)c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.46
MOGAT2 Q3SYC2 2/20 0.38
MGAT2 Q10469 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL8931615 0.92 LTA4H (0.39) LTA4HADRA1DADRA1AADRA1B
Oxalic Acid SCHEMBL8931577 0.85 ALOX5 (0.40) LTA4H
SCHEMBL4958489 0.81 LTA4H (0.48) LTA4H
SCHEMBL3154726 0.78 LTA4H (0.62) LTA4HMOGAT2MGAT2
SCHEMBL6106525 0.78 LTA4H (0.62) LTA4HMOGAT2MGAT2
SCHEMBL8509274 0.76 LTA4H (0.34) LTA4HADRA1DADRA1AADRA1B
SCHEMBL17150885 0.72 LTA4H (0.52) LTA4HMOGAT2MGAT2
SCHEMBL19392919 0.72 LTA4H (0.52) LTA4HMOGAT2MGAT2
SCHEMBL4955102 0.72 LTA4H (0.51) LTA4H
SCHEMBL17381316 0.72 LTA4H (0.52) LTA4HMOGAT2MGAT2

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
EP-0808316-A1 VASOCONSTRICTIVE SUBSTITUTED 2,3-DIHYDRO-1,4-DIOXINOPYRIDINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-26 EP claimed
WO-1996024596-A1 VASOCONSTRICTIVE SUBSTITUTED 2,3-DIHYDRO-1,4-DIOXINOPYRIDINES JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-15 WO claimed