SCHEMBL1661775

SCHEMBL1661775

C1=CC1(c1ccccc1)c1ccc2nc(-c3ccc4c(c3)CNC4)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.42
TDP2 O95551 1/20 0.36
MAOB P27338 3/20 0.36
S1PR3 Q99500 2/20 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
SCHEMBL1661771 0.87 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL1661649 0.79 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL1661678 0.78 S1PR1 (0.44) S1PR1MAOBS1PR3
SCHEMBL1661564 0.78 S1PR1 (0.50) S1PR1MAOBS1PR3
SCHEMBL1661196 0.76 S1PR1 (0.39) S1PR1MAOBS1PR3
SCHEMBL1660276 0.76 ADORA3 (0.44) S1PR1MAOBS1PR3
SCHEMBL1662093 0.76 S1PR1 (0.43) S1PR1MAOBS1PR3
SCHEMBL1662792 0.75 APP (0.50) S1PR1MAOB
SCHEMBL1664202 0.75 S1PR1 (0.42) S1PR1MAOBS1PR3
SCHEMBL1662151 0.75 NPC1 (0.38) 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