SCHEMBL46612

SCHEMBL46612

CC(C)(C=O)CCCC(=O)N1CCc2c(n(Cc3ccc(F)cc3F)c3ncccc23)C1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.82

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
SCHEMBL14892258 0.90 ENPP2 (1.00) ENPP2
SCHEMBL14891377 0.85 ENPP2 (0.79) ENPP2
SCHEMBL14891413 0.84 ENPP2 (0.78) ENPP2
SCHEMBL14891502 0.84 ENPP2 (0.88) ENPP2
SCHEMBL17907798 0.84 ENPP2 (0.85) ENPP2
SCHEMBL14892269 0.83 ENPP2 (0.87) ENPP2
SCHEMBL14891067 0.83 ENPP2 (0.74) ENPP2
SCHEMBL14892642 0.83 ENPP2 (0.74) ENPP2
SCHEMBL14891418 0.83 ENPP2 (0.86) ENPP2
SCHEMBL14891624 0.82 ENPP2 (0.73) 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