SCHEMBL17907679

SCHEMBL17907679

C[C@]1(C(=O)O)CC[C@H](CC(=O)N2CCc3c(n(Cc4ccc(C(F)(F)F)cc4)c4ncccc34)C2)CC1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.84

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
SCHEMBL17907817 1.00 ENPP2 (0.84) ENPP2
SCHEMBL17907789 1.00 ENPP2 (0.84) ENPP2
SCHEMBL17907834 0.92 ENPP2 (0.76) ENPP2
SCHEMBL17907717 0.92 ENPP2 (0.76) ENPP2
SCHEMBL14891640 0.92 ENPP2 (1.00) ENPP2
SCHEMBL46617 0.92 ENPP2 (1.00) ENPP2
SCHEMBL20477650 0.92 ENPP2 (1.00) ENPP2
SCHEMBL46345 0.91 ENPP2 (1.00) ENPP2
SCHEMBL14891212 0.91 ENPP2 (1.00) ENPP2
SCHEMBL17907844 0.91 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
EP-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP claimed