SCHEMBL17907701

SCHEMBL17907701

COc1cc(CC(=O)N2CCc3c(n(Cc4cccc(C(F)F)c4)c4ncccc34)C2)ccc1C(=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
SCHEMBL17907761 0.91 ENPP2 (0.66) ENPP2
SCHEMBL14891432 0.91 ENPP2 (0.77) ENPP2
SCHEMBL17907810 0.91 ENPP2 (0.71) ENPP2
SCHEMBL17907590 0.90 ENPP2 (0.78) ENPP2
SCHEMBL14892695 0.89 ENPP2 (0.77) ENPP2
SCHEMBL17780090 0.89 ENPP2 (0.79) ENPP2
SCHEMBL14891574 0.88 ENPP2 (0.78) ENPP2
SCHEMBL14892018 0.88 ENPP2 (0.82) ENPP2
SCHEMBL14891656 0.88 ENPP2 (0.79) ENPP2
SCHEMBL14890971 0.88 ENPP2 (0.81) 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