SCHEMBL1661642

SCHEMBL1661642

CCN(CCC(=O)O)c1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.58
S1PR3 Q99500 6/20 0.55

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
SCHEMBL1661949 0.91 S1PR1 (0.61) S1PR1S1PR3
Hydrochloric Acid SCHEMBL1662573 0.90 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1661639 0.89 S1PR1 (0.73) S1PR1S1PR3
Hydrochloric Acid SCHEMBL1661598 0.88 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL1661289 0.86 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1662079 0.84 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL1663603 0.83 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL1661936 0.83 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL1662062 0.82 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1661207 0.82 S1PR1 (0.78) 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 3 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