SCHEMBL16649271

SCHEMBL16649271

O=C(O)OC1CN(Cc2ccc(-c3noc(CCC4(c5cc(F)cc(F)c5)CCCCC4)n3)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.69
S1PR3 Q99500 4/20 0.49

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
SCHEMBL16649107 0.93 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL16649454 0.93 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL16649352 0.92 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL16649292 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL16649440 0.91 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL16649354 0.91 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL16649147 0.90 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL461052 0.89 S1PR1 (0.86) S1PR1S1PR3
SCHEMBL16649312 0.89 S1PR1 (0.81) S1PR1S1PR3
SCHEMBL16649339 0.89 S1PR1 (0.74) 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
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP claimed