SCHEMBL948759

SCHEMBL948759

CN1CCn2c(cc3cc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)ccc32)C1CC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.77
S1PR4 O95977 1/20 0.77
S1PR5 Q9H228 1/20 0.77

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
SCHEMBL2016062 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL2016064 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL2021112 0.87 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL2017158 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL2016916 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL2020400 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL946202 0.84 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL946325 0.84 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL946256 0.84 S1PR1 (1.00) S1PR1S1PR4S1PR5
SCHEMBL945324 0.84 S1PR1 (1.00) S1PR1S1PR4S1PR5

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