SCHEMBL945864

SCHEMBL945864

COC(=O)CC1CCn2c1c(C(F)(F)F)c1cc(-c3noc(-c4cc(C#N)cc(OC(F)(F)F)c4)n3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.68
S1PR5 Q9H228 3/20 0.68
S1PR4 O95977 2/20 0.54

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
SCHEMBL947588 0.92 S1PR1 (0.77) S1PR1S1PR5S1PR4
SCHEMBL946626 0.91 S1PR1 (0.66) S1PR1S1PR5S1PR4
SCHEMBL948024 0.86 S1PR1 (0.78) S1PR1S1PR5S1PR4
SCHEMBL988067 0.86 S1PR1 (0.78) S1PR1S1PR5S1PR4
SCHEMBL948795 0.86 S1PR1 (0.80) S1PR1S1PR5S1PR4
SCHEMBL948794 0.86 S1PR1 (0.80) S1PR1S1PR5S1PR4
SCHEMBL943689 0.84 S1PR1 (0.78) S1PR1S1PR5S1PR4
SCHEMBL950655 0.84 S1PR1 (0.78) S1PR1S1PR5S1PR4
SCHEMBL946606 0.84 S1PR1 (0.78) S1PR1S1PR5S1PR4
SCHEMBL946608 0.84 S1PR1 (0.78) S1PR1S1PR5S1PR4

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