SCHEMBL17907685

SCHEMBL17907685

CC(C)(CCCC(=O)N1CCc2c(n(Cc3ccc(OC(F)(F)F)c(F)c3)c3ncccc23)C1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.76

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
SCHEMBL17907632 0.95 ENPP2 (0.75) ENPP2
SCHEMBL14890949 0.94 ENPP2 (0.77) ENPP2
SCHEMBL17907833 0.93 ENPP2 (0.72) ENPP2
SCHEMBL17907766 0.92 ENPP2 (0.72) ENPP2
SCHEMBL14892517 0.91 ENPP2 (0.83) ENPP2
SCHEMBL17907826 0.90 ENPP2 (0.78) ENPP2
SCHEMBL17907808 0.90 ENPP2 (0.73) ENPP2
SCHEMBL14891021 0.90 ENPP2 (0.81) ENPP2
SCHEMBL17907635 0.89 ENPP2 (0.66) ENPP2
SCHEMBL17907620 0.89 ENPP2 (0.64) 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