SCHEMBL46602

SCHEMBL46602

O=CC12CCC(CC(=O)N3CCc4c(n(Cc5ccc(F)cc5)c5ncccc45)C3)(CC1)C2

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.79

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
SCHEMBL14892670 0.89 ENPP2 (1.00) ENPP2
SCHEMBL14891631 0.87 ENPP2 (1.00) ENPP2
SCHEMBL14890740 0.81 ENPP2 (0.86) ENPP2
SCHEMBL14891473 0.81 ENPP2 (0.90) ENPP2
SCHEMBL17907601 0.80 ENPP2 (0.85) ENPP2
SCHEMBL14892268 0.80 ENPP2 (0.84) ENPP2
SCHEMBL15435431 0.80 ENPP2 (0.84) ENPP2
SCHEMBL46630 0.80 ENPP2 (0.92) ENPP2
SCHEMBL14890826 0.80 ENPP2 (0.83) ENPP2
SCHEMBL14891791 0.80 ENPP2 (0.83) 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