SCHEMBL17907684

SCHEMBL17907684

Cc1nc(-c2ccccc2)sc1Cn1c2c(c3cccnc31)CCN(C(=O)CCCC(C)(C)C(=O)O)C2

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
SCHEMBL17907659 0.93 ENPP2 (0.67) ENPP2
SCHEMBL14891827 0.91 ENPP2 (0.72) ENPP2
SCHEMBL17907781 0.90 ENPP2 (0.68) ENPP2
SCHEMBL17907636 0.88 ENPP2 (0.77) ENPP2
SCHEMBL17907607 0.88 ENPP2 (0.55) ENPP2
SCHEMBL14891516 0.86 ENPP2 (0.83) ENPP2
SCHEMBL14892009 0.84 ENPP2 (0.72) ENPP2
SCHEMBL14892219 0.83 ENPP2 (0.79) ENPP2
SCHEMBL14891072 0.83 ENPP2 (0.82) ENPP2
SCHEMBL17907611 0.83 ENPP2 (0.59) 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