SCHEMBL1662084

SCHEMBL1662084

O=C(Nc1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)c(F)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.60
S1PR3 Q99500 6/20 0.60

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
SCHEMBL1662081 0.88 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL1662088 0.84 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL1662170 0.84 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL1662180 0.84 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL1662062 0.84 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1662056 0.84 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL1661843 0.83 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL1661831 0.82 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1661192 0.82 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL1662652 0.81 S1PR1 (0.56) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed