SCHEMBL1661558

SCHEMBL1661558

Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(C3[CH]CC3)nc2s1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.35
S1PR3 Q99500 9/20 0.33
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL1661180 0.82 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL1661371 0.80 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL1662474 0.78 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL1663934 0.78 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL1661893 0.78 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL1661542 0.77 S1PR1 (0.35) S1PR1S1PR3S1PR5
SCHEMBL1662014 0.77 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL1663697 0.77 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL1661056 0.76 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL1661911 0.76 S1PR1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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