SCHEMBL1664584

SCHEMBL1664584

CN(C)c1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.61
APP P05067 1/20 0.49
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL13059574 0.88 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL1662792 0.85 APP (0.50) S1PR1APP
SCHEMBL1661562 0.84 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL1661676 0.84 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL3419145 0.83 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL1662091 0.82 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1660273 0.82 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1664199 0.81 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL1661761 0.78 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL1661194 0.78 S1PR1 (0.56) 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