SCHEMBL948731

SCHEMBL948731

N#Cc1cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)ccc1C1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.76
S1PR5 Q9H228 5/20 0.62
S1PR4 O95977 3/20 0.47
S1PR3 Q99500 2/20 0.44

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
SCHEMBL3750051 0.88 S1PR1 (0.80) S1PR1S1PR5S1PR3
SCHEMBL3426855 0.88 S1PR1 (0.80) S1PR1S1PR5S1PR3
SCHEMBL3755388 0.88 S1PR1 (0.80) S1PR1S1PR5S1PR3
SCHEMBL3746061 0.88 S1PR1 (0.79) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3425257 0.88 S1PR1 (0.79) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3753888 0.88 S1PR1 (0.79) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3429208 0.86 S1PR1 (1.00) S1PR1S1PR5S1PR3
SCHEMBL3756423 0.86 S1PR1 (1.00) S1PR1S1PR5S1PR3
SCHEMBL3750048 0.86 S1PR1 (1.00) S1PR1S1PR5S1PR3
SCHEMBL946726 0.85 S1PR1 (0.56) S1PR1S1PR5S1PR4S1PR3

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
WO-2011005290-A1 DISUBSTITUTED OXADIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed