SCHEMBL17907677

SCHEMBL17907677

C[C@@H]1CN(CC(=O)O)C[C@H](C)N1CC(=O)N1CCc2c(n(Cc3ccc(C(F)(F)F)s3)c3ncccc23)C1

nearest known ligand 0.94

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.94

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
SCHEMBL15435434 0.97 ENPP2 (1.00) ENPP2
SCHEMBL12697503 0.90 ENPP2 (0.84) ENPP2
SCHEMBL12697502 0.83 ENPP2 (0.79) ENPP2
SCHEMBL17907824 0.82 ENPP2 (0.70) ENPP2
SCHEMBL17907800 0.82 ENPP2 (0.70) ENPP2
SCHEMBL14891811 0.82 ENPP2 (0.70) ENPP2
Bicarbonate SCHEMBL17907653 0.82 ENPP2 (0.80) ENPP2
SCHEMBL12697559 0.82 ENPP2 (1.00) ENPP2
Bicarbonate SCHEMBL17907642 0.82 ENPP2 (0.80) ENPP2
SCHEMBL17907602 0.82 ENPP2 (0.74) 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