SCHEMBL46457

SCHEMBL46457

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

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 20/20 0.63

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
SCHEMBL18799220 0.87 ENPP2 (0.64) ENPP2
SCHEMBL14892086 0.86 ENPP2 (0.77) ENPP2
Hydrochloric Acid SCHEMBL14892726 0.85 ENPP2 (0.76) ENPP2
SCHEMBL17655530 0.84 ENPP2 (0.55) ENPP2
SCHEMBL47769 0.79 ENPP2 (0.75) ENPP2
SCHEMBL46578 0.78 ENPP2 (0.84) ENPP2
SCHEMBL14890961 0.78 ENPP2 (0.81) ENPP2
SCHEMBL46620 0.78 ENPP2 (0.78) ENPP2
SCHEMBL14892381 0.77 ENPP2 (1.00) ENPP2
Hydrochloric Acid SCHEMBL14890877 0.77 ENPP2 (0.80) 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
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