SCHEMBL46304

SCHEMBL46304

O=C[C@H]1CC[C@H](CC(=O)N2CCc3c(n(Cc4ccc(F)cc4F)c4ncccc34)C2)CC1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.83

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
SCHEMBL14943800 0.91 ENPP2 (0.84) ENPP2
SCHEMBL14891621 0.91 ENPP2 (1.00) ENPP2
SCHEMBL14891003 0.91 ENPP2 (1.00) ENPP2
SCHEMBL14891758 0.87 ENPP2 (0.87) ENPP2
SCHEMBL14891313 0.87 ENPP2 (0.87) ENPP2
SCHEMBL14891314 0.87 ENPP2 (0.87) ENPP2
SCHEMBL14891449 0.86 ENPP2 (1.00) ENPP2
SCHEMBL20477651 0.86 ENPP2 (1.00) ENPP2
SCHEMBL14890868 0.86 ENPP2 (1.00) ENPP2
SCHEMBL14943790 0.84 ENPP2 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012127885-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-09-27 WO disclosed
WO-2012005227-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-01-12 WO disclosed