SCHEMBL17907703

SCHEMBL17907703

O=C(O)C1CCN(CC(=O)N2CCc3c(n(Cc4ccc(Oc5ccccc5)cc4)c4ncccc34)C2)CC1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.82

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
SCHEMBL17907687 0.91 ENPP2 (0.68) ENPP2
SCHEMBL12697501 0.90 ENPP2 (1.00) ENPP2
SCHEMBL14891893 0.87 ENPP2 (0.74) ENPP2
Hydrochloric Acid SCHEMBL14892034 0.86 ENPP2 (0.73) ENPP2
SCHEMBL15418232 0.85 ENPP2 (0.85) ENPP2
Hydrochloric Acid SCHEMBL15418066 0.84 ENPP2 (0.84) ENPP2
SCHEMBL15418073 0.83 ENPP2 (0.82) ENPP2
SCHEMBL17907663 0.83 ENPP2 (0.81) ENPP2
SCHEMBL17907712 0.81 ENPP2 (0.63) ENPP2
SCHEMBL12697430 0.81 ENPP2 (0.65) 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