SCHEMBL17907806

SCHEMBL17907806

Cc1cc(Cn2c3c(c4cccc(F)c42)CCN(C(=O)CCCC(C)(C)C(=O)O)C3)n(C)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 18/20 0.57
PTGDR2 Q9Y5Y4 2/20 0.35

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
SCHEMBL14891808 0.89 ENPP2 (0.54) ENPP2PTGDR2
SCHEMBL14891779 0.85 ENPP2 (0.70) ENPP2
SCHEMBL17907760 0.78 ENPP2 (0.70) ENPP2
SCHEMBL14892032 0.78 ENPP2 (0.59) ENPP2
SCHEMBL17907678 0.78 ENPP2 (0.67) ENPP2
SCHEMBL14891164 0.77 ENPP2 (0.54) ENPP2PTGDR2
SCHEMBL14891703 0.76 ENPP2 (0.79) ENPP2
SCHEMBL14891252 0.75 ENPP2 (0.77) ENPP2
SCHEMBL14892284 0.74 ENPP2 (0.78) ENPP2
SCHEMBL14891563 0.74 ENPP2 (0.79) 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 disclosed