SCHEMBL28516223

SCHEMBL28516223

CC(C)(C)OC(=O)N1CCCC(C)(C)C1(C)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.37
HPGD P15428 1/20 0.36
JAK3 P52333 2/20 0.35
EPHX1 P07099 1/20 0.34
PREP P48147 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 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
SCHEMBL28721452 0.85 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL932957 0.83 GRIN2B (0.43) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL475482 0.81 GRIN2B (0.44) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL28658998 0.80 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL2774828 0.80 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL1268184 0.80 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL199926 0.80 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL4730578 0.78 GRIN2B (0.42) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL28832612 0.78 GRIN2B (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL8528362 0.78 GRIN2B (0.45) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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
CN-114206872-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists 百济神州有限公司 2022-03-18 CN disclosed
CN-112321590-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists 百济神州有限公司 2021-02-05 CN disclosed