SCHEMBL17907644

SCHEMBL17907644

COc1cc(CC(=O)N2CCc3c(n(Cc4ccc(C(F)(F)F)cc4)c4ncccc34)C2)cc(OC)c1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.74

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
SCHEMBL17907658 0.93 ENPP2 (0.72) ENPP2
SCHEMBL12697571 0.92 ENPP2 (0.84) ENPP2
SCHEMBL14891277 0.92 ENPP2 (0.70) ENPP2
SCHEMBL17907852 0.91 ENPP2 (0.85) ENPP2
SCHEMBL14891071 0.91 ENPP2 (0.69) ENPP2
SCHEMBL17907859 0.89 ENPP2 (0.73) ENPP2
SCHEMBL14891476 0.89 ENPP2 (0.69) ENPP2
SCHEMBL14891016 0.89 ENPP2 (0.70) ENPP2
SCHEMBL14891231 0.88 ENPP2 (0.66) ENPP2
SCHEMBL14891172 0.88 ENPP2 (0.66) 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