SCHEMBL17907664

SCHEMBL17907664

O=C(O)OC1CCN(CC(=O)N2CCc3c(n(Cc4ccc(OC(F)(F)F)c(F)c4)c4ncccc34)C2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.68

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
SCHEMBL17907657 0.93 ENPP2 (0.69) ENPP2
SCHEMBL17907663 0.92 ENPP2 (0.81) ENPP2
Hydrochloric Acid SCHEMBL17907621 0.90 ENPP2 (0.68) ENPP2
Hydrochloric Acid SCHEMBL17907594 0.89 ENPP2 (0.66) ENPP2
SCHEMBL17907667 0.86 ENPP2 (0.51) ENPP2
SCHEMBL15418073 0.85 ENPP2 (0.82) ENPP2
Bicarbonate SCHEMBL17907710 0.84 ENPP2 (0.63) ENPP2
SCHEMBL17907841 0.83 ENPP2 (0.75) ENPP2
SCHEMBL17907708 0.83 ENPP2 (0.75) ENPP2
Hydrochloric Acid SCHEMBL17907591 0.83 ENPP2 (0.68) 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