SCHEMBL17907863

SCHEMBL17907863

O=C(O)c1ccc(CC(=O)N2CCc3c(n(Cc4ccc(OC(F)(F)F)cc4)c4ncccc34)C2)cn1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.73

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
SCHEMBL17907801 0.93 ENPP2 (0.66) ENPP2
SCHEMBL15418046 0.90 ENPP2 (0.62) ENPP2
SCHEMBL17907771 0.90 ENPP2 (0.61) ENPP2
SCHEMBL17907785 0.87 ENPP2 (0.84) ENPP2
SCHEMBL17907852 0.85 ENPP2 (0.85) ENPP2
SCHEMBL12697561 0.84 ENPP2 (1.00) ENPP2
SCHEMBL17907696 0.84 ENPP2 (0.66) ENPP2
SCHEMBL15418186 0.84 ENPP2 (0.64) ENPP2
SCHEMBL17907772 0.83 ENPP2 (0.70) ENPP2
Hydrochloric Acid SCHEMBL17907624 0.83 ENPP2 (0.82) 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