SCHEMBL1661749

SCHEMBL1661749

Cc1cc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)cc(C)c1CN1CCC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
S1PR1 P21453 17/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL1662654 0.89 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL1662350 0.86 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL1661995 0.85 S1PR1 (0.39) MAOBS1PR1S1PR3
SCHEMBL1661615 0.84 MAOB (0.40) MAOBS1PR1S1PR3S1PR5
SCHEMBL1661765 0.80 S1PR1 (0.41) MAOBS1PR1S1PR3
SCHEMBL1661809 0.78 S1PR1 (0.39) MAOBS1PR1S1PR3
SCHEMBL1661867 0.77 S1PR1 (0.38) MAOBS1PR1S1PR3S1PR5
SCHEMBL1662682 0.76 S1PR1 (0.38) MAOBS1PR1S1PR3S1PR5
SCHEMBL1661196 0.76 S1PR1 (0.39) MAOBS1PR1S1PR3
SCHEMBL1661732 0.75 S1PR1 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
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