SCHEMBL17907704

SCHEMBL17907704

CC(C)c1ccc(Cn2c3c(c4cccnc42)CCN(C(=O)CCCC(C)(C)C(=O)O)C3)cc1

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
SCHEMBL17907622 0.93 ENPP2 (0.75) ENPP2
SCHEMBL14891849 0.93 ENPP2 (0.77) ENPP2
SCHEMBL14891516 0.92 ENPP2 (0.83) ENPP2
SCHEMBL14891114 0.90 ENPP2 (0.84) ENPP2
SCHEMBL17907683 0.90 ENPP2 (0.71) ENPP2
SCHEMBL14891625 0.90 ENPP2 (0.73) ENPP2
SCHEMBL14891629 0.90 ENPP2 (0.78) ENPP2
SCHEMBL14890857 0.90 ENPP2 (0.78) ENPP2
SCHEMBL14891648 0.89 ENPP2 (0.77) ENPP2
SCHEMBL17907728 0.89 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-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP claimed