SCHEMBL46626

SCHEMBL46626

O=C/C=C\CCC(=O)N1CCc2c(n(Cc3cccc(F)c3)c3ncccc23)C1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.76

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
SCHEMBL46831 0.92 ENPP2 (0.77) ENPP2
SCHEMBL14891064 0.92 ENPP2 (0.77) ENPP2
SCHEMBL14892567 0.92 ENPP2 (0.77) ENPP2
SCHEMBL14943776 0.89 ENPP2 (0.70) ENPP2
SCHEMBL14931525 0.89 ENPP2 (0.82) ENPP2
SCHEMBL46619 0.88 ENPP2 (0.68) ENPP2
SCHEMBL14931609 0.87 ENPP2 (0.85) ENPP2
SCHEMBL14892076 0.86 ENPP2 (1.00) ENPP2
SCHEMBL46620 0.86 ENPP2 (0.78) ENPP2
SCHEMBL46636 0.85 ENPP2 (0.77) ENPP2

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-2012005227-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-01-12 WO disclosed