SCHEMBL17907858

SCHEMBL17907858

CC(C)(CCCC(=O)N1CCc2c(n(Cc3ccc(C(F)(F)F)s3)c3ncccc23)C1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.81

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
SCHEMBL14891305 0.91 ENPP2 (0.83) ENPP2
SCHEMBL14890910 0.89 ENPP2 (1.00) ENPP2
SCHEMBL17907759 0.89 ENPP2 (0.80) ENPP2
SCHEMBL12697562 0.89 ENPP2 (1.00) ENPP2
SCHEMBL17907756 0.88 ENPP2 (0.70) ENPP2
SCHEMBL14891296 0.88 ENPP2 (0.83) ENPP2
SCHEMBL17907804 0.88 ENPP2 (0.70) ENPP2
SCHEMBL14892950 0.87 ENPP2 (0.80) ENPP2
Bicarbonate SCHEMBL17907716 0.87 ENPP2 (0.76) ENPP2
SCHEMBL17907688 0.87 ENPP2 (0.75) 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