SCHEMBL2832848

SCHEMBL2832848

Cc1cc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)cc(C)c1CC(O)CO.Cc1cc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)cc(C)c1CCNCC(F)F

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.41
S1PR3 Q99500 18/20 0.41

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
SCHEMBL1338295 0.93 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL1338622 0.89 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL1338365 0.82 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL1335876 0.79 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL1338630 0.78 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL1338665 0.77 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL1336486 0.77 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL1337953 0.77 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL1338057 0.76 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL1337688 0.76 S1PR1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO disclosed