SCHEMBL4431700

SCHEMBL4431700

CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCC(O)CNC(=O)CO.CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCC(O)CNC(=O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 17/20 1.00

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
SCHEMBL3276241 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3275266 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3276427 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3275379 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3276775 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3275384 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4431693 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4433944 0.95 S1PR1 (0.90) S1PR1S1PR3
SCHEMBL3280526 0.95 S1PR1 (0.90) S1PR1S1PR3
SCHEMBL3276591 0.93 S1PR1 (0.87) 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-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