SCHEMBL1014841

SCHEMBL1014841

CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCCC(=O)OC(=O)CCc5nccc6c(-c7noc(-c8ccc(N9CCC(F)C9)c(C#N)c8)n7)cccc56)nccc34)no2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.45
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL1014838 0.94 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL1014881 0.85 S1PR1 (0.42) S1PR1
SCHEMBL1015480 0.83 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL1014880 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL1013234 0.82 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL1016184 0.81 S1PR1 (0.42) S1PR1S1PR3S1PR5
SCHEMBL12894508 0.78 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL1013217 0.78 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL1015262 0.78 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL1015477 0.77 S1PR1 (0.56) S1PR1S1PR3S1PR5

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