SCHEMBL1014881

SCHEMBL1014881

CC(C)COC(=O)CCc1nccc2c(-c3noc(-c4ccc(N5CCC(F)C5)c(C#N)c4)n3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.42

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
SCHEMBL1014880 0.89 S1PR1 (0.41) S1PR1
SCHEMBL1016184 0.88 S1PR1 (0.42) S1PR1
SCHEMBL1015630 0.86 S1PR1 (0.52) S1PR1
SCHEMBL1015466 0.86 S1PR1 (0.47) S1PR1
SCHEMBL1014841 0.85 S1PR1 (0.45) S1PR1
SCHEMBL1015308 0.84 S1PR1 (0.57) S1PR1
SCHEMBL1014838 0.83 S1PR1 (0.52) S1PR1
SCHEMBL1016210 0.82 S1PR1 (0.55) S1PR1
SCHEMBL11983625 0.76 S1PR1 (0.48) S1PR1
SCHEMBL1015266 0.76 S1PR1 (0.50) S1PR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed