SCHEMBL46811

SCHEMBL46811

CC(C)(C=O)CCCC(=O)N1CCc2c(n(Cc3ccc(Cl)s3)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
SCHEMBL14890910 0.90 ENPP2 (1.00) ENPP2
SCHEMBL14890764 0.86 ENPP2 (0.79) ENPP2
SCHEMBL14891695 0.85 ENPP2 (0.78) ENPP2
SCHEMBL14891843 0.84 ENPP2 (0.78) ENPP2
SCHEMBL46612 0.81 ENPP2 (0.82) ENPP2
SCHEMBL14891296 0.81 ENPP2 (0.83) ENPP2
SCHEMBL14891305 0.81 ENPP2 (0.83) ENPP2
SCHEMBL14891092 0.81 ENPP2 (0.78) ENPP2
SCHEMBL14891736 0.79 ENPP2 (0.69) ENPP2
SCHEMBL17907858 0.79 ENPP2 (0.81) 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