SCHEMBL17907840

SCHEMBL17907840

O=C(CC12CC3CC(C1)CC(C(=O)O)(C3)C2)N1CCc2c(n(Cc3cnc(C(F)(F)F)s3)c3ncccc23)C1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.81

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
SCHEMBL17907762 0.90 ENPP2 (0.69) ENPP2
SCHEMBL12697569 0.89 ENPP2 (1.00) ENPP2
SCHEMBL17907868 0.82 ENPP2 (0.81) ENPP2
SCHEMBL17907854 0.82 ENPP2 (0.78) ENPP2
SCHEMBL14892382 0.80 ENPP2 (0.71) ENPP2
SCHEMBL17907599 0.80 ENPP2 (0.85) ENPP2
SCHEMBL17907767 0.80 ENPP2 (0.85) ENPP2
SCHEMBL17907738 0.80 ENPP2 (0.80) ENPP2
Bicarbonate SCHEMBL17907774 0.79 ENPP2 (0.80) ENPP2
Bicarbonate SCHEMBL17907725 0.79 ENPP2 (0.77) 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