SCHEMBL28650431

SCHEMBL28650431

CC(C)(C)OC(=O)C1CC(CC2CCNCC2)CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ARG1 P05089 1/20 0.35
NR1H2 P55055 1/20 0.33

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
SCHEMBL27682940 0.87 NR1H2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29172731 0.84 ARG1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27451986 0.82 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7512909 0.81 L3MBTL1 (0.34) NR1H2
SCHEMBL28664063 0.78 GPR119 (0.30)
SCHEMBL21358061 0.78 ARG1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7359958 0.78 MAPK1 (0.36)
SCHEMBL7379626 0.78 MAPK1 (0.36)
SCHEMBL22152561 0.78 MAPK1 (0.36)
SCHEMBL28657453 0.77 ARG1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 CN disclosed