SCHEMBL1661765

SCHEMBL1661765

Cc1cc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.41
MAOB P27338 3/20 0.40
S1PR3 Q99500 3/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1661615 0.88 MAOB (0.40) S1PR1MAOBS1PR3
SCHEMBL1661809 0.85 S1PR1 (0.39) S1PR1MAOBS1PR3
SCHEMBL1661761 0.85 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1662682 0.84 S1PR1 (0.38) S1PR1MAOBS1PR3LMNA
SCHEMBL1661196 0.83 S1PR1 (0.39) S1PR1MAOBS1PR3KDM4ELMNA
SCHEMBL1661867 0.82 S1PR1 (0.38) S1PR1MAOBS1PR3LMNA
SCHEMBL1661460 0.81 S1PR1 (0.38) S1PR1MAOBKDM4ELMNA
SCHEMBL1661749 0.80 MAOB (0.39) S1PR1MAOBS1PR3
SCHEMBL1660276 0.79 ADORA3 (0.44) S1PR1MAOBS1PR3
SCHEMBL1661564 0.78 S1PR1 (0.50) S1PR1MAOBS1PR3

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