SCHEMBL2720064

SCHEMBL2720064

CCc1cc(OCCCCNC)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1.CCc1cc(OCCCNC)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.54
S1PR5 Q9H228 5/20 0.53
S1PR3 Q99500 5/20 0.53
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
GPR183 P32249 1/20 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
SCHEMBL2134073 0.99 S1PR1 (0.54) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL2135178 0.98 S1PR1 (0.55) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL2138457 0.96 S1PR1 (0.55) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL2143589 0.91 S1PR1 (0.54) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL2136114 0.90 S1PR1 (0.56) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL12975475 0.89 S1PR1 (0.51) S1PR1S1PR5S1PR3
SCHEMBL2134359 0.89 S1PR1 (0.55) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL2133593 0.89 S1PR1 (0.56) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL2134908 0.88 S1PR1 (0.56) S1PR1S1PR5S1PR3S1PR2S1PR4
SCHEMBL2134299 0.88 S1PR1 (0.55) S1PR1S1PR5S1PR3S1PR2S1PR4

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-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP claimed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO claimed