SCHEMBL1661661

SCHEMBL1661661

CC(C)(C)OC(=O)CCNc1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.46
S1PR3 Q99500 6/20 0.43
TP53 P04637 1/20 0.37
MGLL Q99685 2/20 0.36

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
SCHEMBL1661826 0.88 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL1661618 0.87 S1PR1 (0.58) S1PR1S1PR3TP53MGLL
SCHEMBL1661614 0.75 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL1662062 0.74 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1660276 0.74 ADORA3 (0.44) S1PR1S1PR3
SCHEMBL1661212 0.72 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL1661678 0.71 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL1661831 0.71 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1664089 0.71 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL1662108 0.71 S1PR1 (0.54) 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