SCHEMBL7696361

SCHEMBL7696361

CC(C)(C)OC(=O)N1CC(Oc2cc(Cl)c(F)cc2C#N)(c2ccoc2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.38
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ CTSL P07711 2/20 0.32
▸ CTSS P25774 2/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ GPR183 P32249 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL7699072 0.84 GPR119 (0.38) GPR119JAK2JAK1BCL2A1CYP2D6
SCHEMBL7697640 0.83 CYP3A4 (0.41) GPR119JAK2JAK1NR1H2NR1H3
SCHEMBL7694462 0.81 GPR119 (0.37) GPR119JAK2JAK1BCL2A1CYP2D6
SCHEMBL7701147 0.80 GPR119 (0.41) GPR119JAK2JAK1BCL2A1CYP2D6
SCHEMBL7701110 0.78 GPR119 (0.38) GPR119JAK2JAK1BCL2A1NR1H2
SCHEMBL7701036 0.78 BCL2A1 (0.42) GPR119JAK2JAK1BCL2A1CYP2D6
SCHEMBL7697124 0.78 GPR119 (0.37) GPR119JAK2JAK1BCL2A1CYP2D6
SCHEMBL7693272 0.77 CYP2D6 (0.36) BCL2A1CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL7702610 0.74 GPR119 (0.37) GPR119JAK2JAK1BCL2A1CYP2D6
SCHEMBL23203086 0.70 RORC (0.41) GPR119JAK2JAK1

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
WO-2002012187-A1 NOVEL PHENYLHETEROAZETIDINES, USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
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