SCHEMBL4666263

SCHEMBL4666263

O=C(O)CCNCc1ccc(CC=NOCc2ccc(-c3ccoc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.50
S1PR3 Q99500 4/20 0.36
PPARD Q03181 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL4666420 0.87 S1PR1 (0.64) S1PR1
SCHEMBL2638267 0.85 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL2640104 0.85 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL2638801 0.84 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL4666444 0.84 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL2639905 0.82 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL4663090 0.81 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL1567299 0.81 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL1567302 0.81 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL2639169 0.80 S1PR1 (0.53) S1PR1

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-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO disclosed