SCHEMBL16649282

SCHEMBL16649282

O=C(O)OC1CN(Cc2ccc(-c3noc(/C=C/C4(c5cccc(Cl)c5)CCCCC4)n3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.67
S1PR5 Q9H228 7/20 0.42
S1PR4 O95977 6/20 0.42
S1PR3 Q99500 6/20 0.42

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
SCHEMBL16649328 0.91 S1PR1 (0.60) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649148 0.91 S1PR1 (0.81) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649318 0.90 S1PR1 (0.68) S1PR1S1PR5S1PR4S1PR3
SCHEMBL460080 0.90 S1PR1 (0.82) S1PR1S1PR5S1PR4S1PR3
SCHEMBL460081 0.90 S1PR1 (0.82) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649290 0.89 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16648926 0.88 S1PR1 (0.64) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649252 0.87 S1PR1 (0.69) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649223 0.86 S1PR1 (0.68) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649388 0.85 S1PR1 (0.82) S1PR1S1PR5S1PR4S1PR3

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-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP claimed