SCHEMBL17907708

SCHEMBL17907708

O=C(C[C@H]1CC[C@H](C(=O)O)CC1)N1CCc2c(n(Cc3ccc(OC(F)(F)F)c(F)c3)c3ncccc23)C1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.75

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
SCHEMBL17907841 1.00 ENPP2 (0.75) ENPP2
SCHEMBL17907676 0.93 ENPP2 (0.71) ENPP2
SCHEMBL17907641 0.93 ENPP2 (0.71) ENPP2
Bicarbonate SCHEMBL17907710 0.92 ENPP2 (0.63) ENPP2
SCHEMBL14891949 0.90 ENPP2 (0.83) ENPP2
SCHEMBL14891186 0.90 ENPP2 (0.83) ENPP2
SCHEMBL17907663 0.90 ENPP2 (0.81) ENPP2
SCHEMBL14891130 0.88 ENPP2 (0.79) ENPP2
SCHEMBL14891401 0.88 ENPP2 (0.79) ENPP2
SCHEMBL14891425 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