SCHEMBL4792489

SCHEMBL4792489

O=C(O)C1CN(Cc2ccccc2CSc2ccc(-c3ccccc3)c(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.47
S1PR5 Q9H228 11/20 0.47
S1PR4 O95977 9/20 0.47
S1PR3 Q99500 14/20 0.45

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
SCHEMBL4664486 0.88 S1PR5 (0.56) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4662867 0.84 S1PR5 (0.55) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4664574 0.79 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4666332 0.77 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16493532 0.76 S1PR1 (0.45) S1PR1S1PR5S1PR4S1PR3
SCHEMBL2939694 0.75 S1PR5 (0.48) S1PR1S1PR5S1PR4S1PR3
SCHEMBL13271331 0.74 S1PR5 (0.58) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16493516 0.73 S1PR1 (0.44) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4792492 0.73 S1PR1 (0.40) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4663091 0.72 S1PR5 (0.53) S1PR1S1PR5S1PR4S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO disclosed