SCHEMBL1126116

SCHEMBL1126116

COc1ccc(OC(=O)Nc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.65
NR1H3 Q13133 19/20 0.65

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
SCHEMBL1125626 0.90 NR1H2 (0.68) NR1H2NR1H3
SCHEMBL1125280 0.89 NR1H2 (0.66) NR1H2NR1H3
SCHEMBL1125809 0.88 NR1H2 (0.67) NR1H2NR1H3
SCHEMBL1126277 0.88 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL27673884 0.87 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL3854059 0.86 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL3859944 0.85 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL1124511 0.85 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL1124578 0.85 NR1H2 (0.78) NR1H2NR1H3
SCHEMBL1125098 0.85 NR1H2 (0.81) NR1H2NR1H3

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-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP claimed