SCHEMBL17907667

SCHEMBL17907667

CC1(C)CN(C(=O)CN2CCC(OC(=O)O)CC2)Cc2c1c1cccnc1n2Cc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 19/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL17907846 0.94 ENPP2 (0.52) ENPP2
SCHEMBL15418033 0.92 ENPP2 (0.61) ENPP2
SCHEMBL17907705 0.91 ENPP2 (0.62) ENPP2PTGDR2
Hydrochloric Acid SCHEMBL17907617 0.90 ENPP2 (0.51) ENPP2PTGDR2
SCHEMBL17907664 0.86 ENPP2 (0.68) ENPP2
SCHEMBL15418109 0.85 ENPP2 (0.61) ENPP2
Hydrochloric Acid SCHEMBL17907629 0.84 ENPP2 (0.51) ENPP2PTGDR2
SCHEMBL17907702 0.82 ENPP2 (0.74) ENPP2PTGDR2
SCHEMBL17907589 0.81 ENPP2 (0.62) ENPP2PTGDR2
SCHEMBL17907657 0.80 ENPP2 (0.69) 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