SCHEMBL951026

SCHEMBL951026

CN1CCn2c(cc3cc(OCc4cc(C#N)cc(OC(F)(F)F)c4)ccc32)C1CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.74
S1PR5 Q9H228 3/20 0.49
S1PR4 O95977 1/20 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
SCHEMBL2016035 0.86 S1PR1 (0.91) S1PR1S1PR5S1PR4
SCHEMBL2015485 0.86 S1PR1 (0.91) S1PR1S1PR5S1PR4
SCHEMBL2016011 0.86 S1PR1 (0.91) S1PR1S1PR5S1PR4
SCHEMBL2024428 0.85 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2020136 0.85 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL2016142 0.85 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL948995 0.84 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL932690 0.84 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL932691 0.84 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL945998 0.80 S1PR1 (0.54) 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