SCHEMBL536159

SCHEMBL536159

CCOc1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)cc3)no2)ccc1-c1ccccc1C(F)(F)F.Cc1ccccc1-c1ccc(-c2nc(-c3ccc(CN(C)CCCC(=O)OC(C)(C)C)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.52
S1PR5 Q9H228 3/20 0.46
S1PR3 Q99500 3/20 0.46

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
SCHEMBL411140 0.91 S1PR1 (0.49) S1PR1S1PR5S1PR3
SCHEMBL410811 0.90 S1PR1 (0.62) S1PR1S1PR5S1PR3
SCHEMBL409645 0.88 S1PR1 (0.58) S1PR1S1PR5S1PR3
SCHEMBL406840 0.85 S1PR1 (0.54) S1PR1S1PR5S1PR3
SCHEMBL558527 0.83 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL406955 0.83 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL409492 0.82 S1PR1 (0.58) S1PR1S1PR5S1PR3
SCHEMBL408484 0.82 S1PR1 (0.50) S1PR1S1PR5S1PR3
SCHEMBL410337 0.82 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL409831 0.81 S1PR1 (0.52) S1PR1S1PR5S1PR3

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-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed