SCHEMBL17907837

SCHEMBL17907837

O=C(O)OC12CCC(CC(=O)N3CCc4c(n(Cc5ccc(C(F)(F)F)s5)c5ncccc45)C3)(CC1)CC2

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.69

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
SCHEMBL17907835 0.90 ENPP2 (0.74) ENPP2
SCHEMBL17907854 0.89 ENPP2 (0.78) ENPP2
SCHEMBL17907827 0.87 ENPP2 (0.60) ENPP2
SCHEMBL17907720 0.85 ENPP2 (0.71) ENPP2
SCHEMBL17907868 0.85 ENPP2 (0.81) ENPP2
SCHEMBL17907821 0.85 ENPP2 (0.70) ENPP2
SCHEMBL17907847 0.84 ENPP2 (0.68) ENPP2
SCHEMBL17907777 0.84 ENPP2 (0.69) ENPP2
SCHEMBL17907824 0.82 ENPP2 (0.70) ENPP2
SCHEMBL17907800 0.82 ENPP2 (0.70) 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