SCHEMBL17907736

SCHEMBL17907736

CC(C)(CCC(=O)N1CCc2c(n(Cc3csc(C(F)(F)F)c3)c3ncccc23)C1)CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.74

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
SCHEMBL14892500 0.90 ENPP2 (0.73) ENPP2
SCHEMBL17907695 0.88 ENPP2 (0.74) ENPP2
SCHEMBL17907652 0.87 ENPP2 (0.76) ENPP2
SCHEMBL17907729 0.87 ENPP2 (0.62) ENPP2
SCHEMBL17907706 0.87 ENPP2 (0.83) ENPP2
SCHEMBL17907756 0.87 ENPP2 (0.70) ENPP2
Bicarbonate SCHEMBL17907805 0.86 ENPP2 (0.59) ENPP2
SCHEMBL14892478 0.86 ENPP2 (0.81) ENPP2
SCHEMBL14892237 0.85 ENPP2 (0.84) ENPP2
SCHEMBL14890845 0.85 ENPP2 (1.00) 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