SCHEMBL1661855

SCHEMBL1661855

CC(N)c1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.73
S1PR3 Q99500 4/20 0.61

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
SCHEMBL1662157 1.00 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL1662192 1.00 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL1661565 0.90 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL13059550 0.89 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL13059551 0.89 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL3420268 0.86 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL1661535 0.85 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1663684 0.85 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL1663759 0.85 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL1661209 0.85 S1PR1 (0.68) 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 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