SCHEMBL948216

SCHEMBL948216

COC(=O)CC1c2[nH]c3ccc(-c4noc(-c5cc(C#N)cc(OC(F)(F)F)c5)n4)cc3c2CCN1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.69
S1PR5 Q9H228 3/20 0.69
S1PR4 O95977 2/20 0.69
S1PR3 Q99500 1/20 0.35
KIF11 P52732 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL945433 0.90 S1PR1 (0.62) S1PR1S1PR5S1PR4S1PR3
SCHEMBL2565081 0.87 S1PR1 (0.85) S1PR1S1PR5S1PR4
SCHEMBL945860 0.86 S1PR1 (0.71) S1PR1S1PR5S1PR4
SCHEMBL2565705 0.82 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2562414 0.82 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2567881 0.82 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL945167 0.81 S1PR1 (0.81) S1PR1S1PR5S1PR4S1PR3
SCHEMBL945165 0.81 S1PR1 (0.81) S1PR1S1PR5S1PR4S1PR3
SCHEMBL2559131 0.81 S1PR1 (0.80) S1PR1S1PR5S1PR4FFAR4
SCHEMBL2566711 0.80 S1PR1 (0.83) 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-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed