SCHEMBL3401291

SCHEMBL3401291

CCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C)c1OCCNS(=O)(=O)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
S1PR3 Q99500 20/20 0.59

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
SCHEMBL3407733 0.84 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL3406959 0.84 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL3402301 0.84 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL3404177 0.83 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL27841721 0.83 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL3402276 0.82 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL3402299 0.82 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL3406405 0.81 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL3095704 0.80 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL3405097 0.79 S1PR1 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed