SCHEMBL1661867

SCHEMBL1661867

Cc1cc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)cc(C)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.38
MAOB P27338 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
S1PR3 Q99500 2/20 0.34
TSHR P16473 1/20 0.34
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL1661865 0.87 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL1661765 0.82 S1PR1 (0.41) S1PR1MAOBLMNAS1PR3
SCHEMBL1661615 0.81 MAOB (0.40) S1PR1MAOBS1PR3S1PR5
SCHEMBL1661809 0.79 S1PR1 (0.39) S1PR1MAOBS1PR3
SCHEMBL1662682 0.78 S1PR1 (0.38) S1PR1MAOBLMNATP53THRB
SCHEMBL1661196 0.77 S1PR1 (0.39) S1PR1MAOBLMNATP53THRB
SCHEMBL1661749 0.77 MAOB (0.39) S1PR1MAOBS1PR3S1PR5
SCHEMBL1661460 0.76 S1PR1 (0.38) S1PR1MAOBLMNATP53THRB
SCHEMBL1660276 0.75 ADORA3 (0.44) S1PR1MAOBS1PR3S1PR5
SCHEMBL1661564 0.75 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