SCHEMBL1663893

SCHEMBL1663893

O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccc(O)cc6)C=C5)nc4s3)c(F)c2)C1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.71
S1PR3 Q99500 14/20 0.71
S1PR5 Q9H228 1/20 0.71

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
SCHEMBL1661584 0.94 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL1661579 0.93 S1PR1 (0.81) S1PR1S1PR3S1PR5
SCHEMBL1661493 0.90 S1PR1 (0.79) S1PR1S1PR3S1PR5
SCHEMBL1663891 0.90 S1PR1 (0.88) S1PR1S1PR3S1PR5
SCHEMBL1661665 0.88 S1PR1 (0.73) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1661536 0.87 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL1661594 0.87 S1PR1 (0.74) S1PR1S1PR3S1PR5
SCHEMBL1661634 0.86 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL1661183 0.86 S1PR1 (0.70) S1PR1S1PR3S1PR5
SCHEMBL1661976 0.85 S1PR1 (0.69) S1PR1S1PR3S1PR5

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