SCHEMBL2374288

SCHEMBL2374288

CC(C)COC(=O)N1CCc2c1ccc(-c1coc3ccnc(N)c13)c2F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 6/20 0.45
CYP3A4 P08684 3/20 0.39
EIF2AK2 P19525 3/20 0.39
EIF2AK1 Q9BQI3 3/20 0.39
CYP2C9 P11712 2/20 0.39
RIPK1 Q13546 2/20 0.39
EIF2AK4 Q9P2K8 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.35
GPR119 Q8TDV5 2/20 0.34
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
IDO1 P14902 3/20 0.32
KDR P35968 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH1 P35367 1/20 0.31
SLC6A15 Q9H2J7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
JMJD6 Q6NYC1 1/20 0.30

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
SCHEMBL869628 0.85 EIF2AK3 (0.44) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL2373601 0.82 EIF2AK3 (0.61) EIF2AK3EIF2AK1RIPK1KDRALDH1A1
SCHEMBL2373988 0.78 EIF2AK3 (0.64) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL868864 0.77 EIF2AK3 (0.74) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL16654243 0.71 CYP3A4 (0.36) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL2373630 0.71 GPR119 (0.43) PTGDR2GPR119SCN9ASCN10AIDO1
SCHEMBL2375293 0.68 EIF2AK3 (0.51) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL2374492 0.67 GPR119 (0.37) PTGDR2GPR119SCN9ASCN10AIDO1
SCHEMBL2373984 0.67 NOTUM (0.60) CYP3A4PTGDR2SCN9ASCN10A
SCHEMBL2373042 0.67 EIF2AK3 (0.43) EIF2AK3EIF2AK2EIF2AK1RIPK1GPR119

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-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed