SCHEMBL459895

SCHEMBL459895

CC(=O)OC1CC(c2ccc(-c3noc(CCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)=NO1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.58
S1PR3 Q99500 6/20 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
SCHEMBL27926608 0.92 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL12505575 0.92 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL459894 0.83 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL27908627 0.77 S1PR1 (0.74) S1PR1S1PR3
SCHEMBL460647 0.76 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL460914 0.75 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL459636 0.75 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL459635 0.75 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL876763 0.75 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL461318 0.75 S1PR1 (0.57) 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 8 patents. 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
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP claimed
CN-103124727-A Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO 2013-05-29 CN claimed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO claimed
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
CN-103124727-A Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO 2013-05-29 CN disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO disclosed