SCHEMBL17907687

SCHEMBL17907687

O=C(O)CC1CCN(CC(=O)N2CCc3c(n(Cc4ccc(Oc5ccccc5)cc4)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
SCHEMBL17907703 0.91 ENPP2 (0.82) ENPP2
Hydrochloric Acid SCHEMBL17907592 0.90 ENPP2 (0.82) ENPP2
SCHEMBL14891577 0.88 ENPP2 (0.61) ENPP2
Hydrochloric Acid SCHEMBL14890762 0.87 ENPP2 (0.61) ENPP2
SCHEMBL14892211 0.85 ENPP2 (0.75) ENPP2
Hydrochloric Acid SCHEMBL17907591 0.83 ENPP2 (0.68) ENPP2
Hydrochloric Acid SCHEMBL17907621 0.83 ENPP2 (0.68) ENPP2
Hydrochloric Acid SCHEMBL14891856 0.82 ENPP2 (0.65) ENPP2
SCHEMBL12697430 0.82 ENPP2 (0.65) ENPP2
SCHEMBL14891507 0.81 ENPP2 (0.63) 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
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