SCHEMBL1661539

SCHEMBL1661539

Nc1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.75
S1PR3 Q99500 4/20 0.48

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
SCHEMBL1661881 0.89 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL1661293 0.87 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL1662334 0.87 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL1661535 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1662319 0.85 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1661160 0.85 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1661795 0.85 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1661178 0.85 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1661960 0.84 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL1661192 0.84 S1PR1 (0.76) 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