SCHEMBL20477658

SCHEMBL20477658

O=C(O)CC1CCCN(CC(=O)N2CCc3c(n(Cc4cccc(F)c4)c4ncccc34)C2)C1

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
SCHEMBL14890963 0.96 ENPP2 (0.77) ENPP2
SCHEMBL14892211 0.92 ENPP2 (0.75) ENPP2
SCHEMBL10161960 0.90 ENPP2 (1.00) ENPP2
SCHEMBL14891453 0.89 ENPP2 (0.72) ENPP2
Hydrochloric Acid SCHEMBL14891199 0.88 ENPP2 (0.71) ENPP2
SCHEMBL16626173 0.87 ENPP2 (0.73) ENPP2
SCHEMBL14891381 0.87 ENPP2 (0.93) ENPP2
SCHEMBL14891191 0.87 ENPP2 (0.77) ENPP2
Hydrochloric Acid SCHEMBL14892453 0.87 ENPP2 (0.72) ENPP2
Hydrochloric Acid SCHEMBL14890775 0.86 ENPP2 (0.76) 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-3002285-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-08-29 — — EP disclosed
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