SCHEMBL4564213

SCHEMBL4564213

O=C(OCc1ccccc1)N1CCCC(c2ccc(F)c(F)c2F)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 8/20 0.52
CTNNB1 P35222 8/20 0.52
JAK2 O60674 3/20 0.50
JAK1 P23458 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DPP4 P27487 1/20 0.45
PDE4B Q07343 1/20 0.45
USP30 Q70CQ3 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL19404905 0.81 SMN1; SMN2 (0.57) JAK2JAK1SMN1; SMN2TYK2JAK3
SCHEMBL29087342 0.81 SMN1; SMN2 (0.59) BCL9CTNNB1JAK2JAK1SMN1; SMN2
SCHEMBL5552182 0.80 SMN1; SMN2 (0.46) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL1434918 0.80 SMN1; SMN2 (0.46) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL25035422 0.78 SMN1; SMN2 (0.59) JAK2JAK1SMN1; SMN2TYK2JAK3
SCHEMBL4398722 0.78 SMN1; SMN2 (0.59) JAK2JAK1SMN1; SMN2TYK2JAK3
SCHEMBL13963379 0.78 SMN1; SMN2 (0.59) JAK2JAK1SMN1; SMN2TYK2JAK3
SCHEMBL4968602 0.78 PDE4B (0.55) BCL9CTNNB1JAK2JAK1SMN1; SMN2
SCHEMBL5368396 0.77 SMN1; SMN2 (0.60) JAK2JAK1SMN1; SMN2TYK2JAK3
SCHEMBL6128832 0.77 SMN1; SMN2 (0.60) JAK2JAK1SMN1; SMN2TYK2JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO disclosed