SCHEMBL2936062

SCHEMBL2936062

O=C(O)Oc1ccn(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5F)c(C(F)(F)F)c4)n3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.51
S1PR3 Q99500 2/20 0.45
S1PR5 Q9H228 1/20 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
SCHEMBL2934453 0.92 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL2934421 0.88 S1PR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL2935081 0.88 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL2928814 0.87 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL2932361 0.85 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL2928816 0.85 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL2933666 0.84 S1PR1 (0.64) S1PR1S1PR5
SCHEMBL2937505 0.80 S1PR1 (0.48) S1PR1S1PR3S1PR5
SCHEMBL2937791 0.80 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL2934452 0.79 S1PR1 (0.64) S1PR1S1PR3S1PR5

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
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP claimed