SCHEMBL17907767

SCHEMBL17907767

O=C(C[C@H]1CC[C@@](O)(C(=O)O)CC1)N1CCc2c(n(Cc3cnc(C(F)(F)F)s3)c3ncccc23)C1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.85

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
SCHEMBL17907599 1.00 ENPP2 (0.85) ENPP2
SCHEMBL17907856 0.92 ENPP2 (1.00) ENPP2
SCHEMBL12697563 0.92 ENPP2 (1.00) ENPP2
Bicarbonate SCHEMBL17907793 0.90 ENPP2 (0.80) ENPP2
Bicarbonate SCHEMBL17907774 0.90 ENPP2 (0.80) ENPP2
Bicarbonate SCHEMBL17907649 0.88 ENPP2 (0.81) ENPP2
Bicarbonate SCHEMBL17907660 0.88 ENPP2 (0.81) ENPP2
SCHEMBL15417957 0.86 ENPP2 (0.79) ENPP2
Bicarbonate SCHEMBL17907725 0.84 ENPP2 (0.77) ENPP2
SCHEMBL17907738 0.83 ENPP2 (0.80) 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