SCHEMBL1663696

SCHEMBL1663696

O=Cc1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)cc3s2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.46
S1PR3 Q99500 5/20 0.46

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
SCHEMBL1661773 0.87 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL1663693 0.86 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1661178 0.83 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1602920 0.79 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL1661770 0.78 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL1661439 0.75 S1PR1 (0.81) S1PR1S1PR3
SCHEMBL1661282 0.74 S1PR1 (0.46) S1PR1S1PR3
Hydrochloric Acid SCHEMBL1661541 0.74 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1661175 0.74 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL1662175 0.73 S1PR1 (0.55) 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