SCHEMBL320146

SCHEMBL320146

CNCc1cccc(-c2noc(-c3ccc(-c4ccccc4C)c(C(F)(F)F)c3)n2)c1.Cc1ccccc1-c1ccc(-c2nc(-c3ccc([C@@H](C)N)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.53
S1PR3 Q99500 4/20 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
SCHEMBL10206912 0.92 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL320182 0.88 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL10206913 0.88 S1PR1 (0.66) S1PR1S1PR3
Hydrochloric Acid SCHEMBL27904557 0.87 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL17715217 0.83 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL19339937 0.81 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL10207208 0.81 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL320291 0.81 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL319696 0.81 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL319532 0.81 S1PR1 (0.65) 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-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
EP-2590956-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS Merck Serono S.A. (CH) 2013-05-15 EP disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed