SCHEMBL30002394

SCHEMBL30002394

CC(C)(C)OC(=O)N1CCCCC1=CN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PREP P48147 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ MPO P05164 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
SCHEMBL29993273 0.92 SMN1; SMN2 (0.47) HPGDUSP2SMN1; SMN2CTSKKDM1A
SCHEMBL28858721 0.82 GRM5 (0.34) HPGDUSP2SMN1; SMN2CTSKKDM1A
SCHEMBL31715308 0.82 USP2 (0.39) HPGDUSP2SMN1; SMN2CTSKKDM1A
SCHEMBL31322461 0.82 CTSK (0.40) HPGDUSP2SMN1; SMN2CTSKKDM1A
SCHEMBL31357623 0.81 HDAC1 (0.36) HPGDUSP2SMN1; SMN2CTSKHDAC1
Formic Acid SCHEMBL29026228 0.80 HPGD (0.34) HPGDUSP2SMN1; SMN2CTSKKDM1A
SCHEMBL31357715 0.77 ADORA1 (0.36) HPGDUSP2SMN1; SMN2CTSKHDAC1
SCHEMBL12350366 0.77 CTSK (0.38) HPGDUSP2SMN1; SMN2CTSKKDM1A
SCHEMBL42476 0.77 SMN1; SMN2 (0.48) HPGDUSP2SMN1; SMN2CTSKHDAC1
SCHEMBL24684838 0.77 DRD2 (0.46) DRD2

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-115536661-A Resolution of optically active diazaspiro [4.5] decane derivatives 奥塔万特科学股份有限公司 2022-12-30 — — CN disclosed
CN-110177790-B Resolution of optically active diazaspiro [4.5] decane derivatives 奥塔万特科学股份有限公司 2022-10-14 — — CN disclosed
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