SCHEMBL943689

SCHEMBL943689

N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)c(F)c3n4CCC3CC(=O)O)no2)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.78
S1PR5 Q9H228 3/20 0.78
S1PR4 O95977 2/20 0.64
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL948795 0.94 S1PR1 (0.80) S1PR1S1PR5S1PR4FFAR4
SCHEMBL948794 0.94 S1PR1 (0.80) S1PR1S1PR5S1PR4FFAR4
SCHEMBL946608 0.93 S1PR1 (0.78) S1PR1S1PR5S1PR4FFAR4
SCHEMBL948024 0.93 S1PR1 (0.78) S1PR1S1PR5S1PR4FFAR4
SCHEMBL988067 0.93 S1PR1 (0.78) S1PR1S1PR5S1PR4FFAR4
SCHEMBL950655 0.93 S1PR1 (0.78) S1PR1S1PR5S1PR4FFAR4
SCHEMBL946606 0.93 S1PR1 (0.78) S1PR1S1PR5S1PR4FFAR4
SCHEMBL950525 0.92 S1PR1 (0.77) S1PR1S1PR5S1PR4FFAR4
SCHEMBL947588 0.92 S1PR1 (0.77) S1PR1S1PR5S1PR4FFAR4
SCHEMBL945530 0.90 S1PR1 (0.73) S1PR1S1PR5S1PR4FFAR4

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