SCHEMBL1661678

SCHEMBL1661678

Ic1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.44
MAOB P27338 3/20 0.43
S1PR3 Q99500 3/20 0.35
APP P05067 1/20 0.35
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL1661564 0.87 S1PR1 (0.50) S1PR1MAOBS1PR3APP
SCHEMBL1662093 0.85 S1PR1 (0.43) S1PR1MAOBS1PR3S1PR5
SCHEMBL1660276 0.85 ADORA3 (0.44) S1PR1MAOBS1PR3S1PR5
SCHEMBL1664202 0.84 S1PR1 (0.42) S1PR1MAOBS1PR3APP
SCHEMBL1662792 0.84 APP (0.50) S1PR1MAOBAPP
SCHEMBL1661676 0.84 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL1661765 0.78 S1PR1 (0.41) S1PR1MAOBS1PR3
SCHEMBL1661196 0.78 S1PR1 (0.39) S1PR1MAOBS1PR3
SCHEMBL1661775 0.78 S1PR1 (0.42) S1PR1MAOBS1PR3
SCHEMBL1661618 0.77 S1PR1 (0.58) 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