SCHEMBL4435471

SCHEMBL4435471

CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCC(O)COC

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.75
S1PR3 Q99500 16/20 0.75

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
SCHEMBL3279485 1.00 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL3276422 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4436458 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL3280494 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL3280510 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL3277484 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL3276443 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL3276788 0.91 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL3276392 0.91 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL3277111 0.91 S1PR1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO disclosed