SCHEMBL28858721

SCHEMBL28858721

CC(C)(C)OC(=O)N1CCC(=CN2CCCC2)CC1=CN1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CHRM4 P08173 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ UCHL1 P09936 1/20 0.32
▸ PREP P48147 2/20 0.32
▸ ADORA1 P30542 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 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
SCHEMBL30002394 0.82 HPGD (0.37) HPGDCHRM4DRD2HTR7KDM1A
SCHEMBL20139339 0.78 HPGD (0.48) GRM5HPGDCHRM4USP2SMN1; SMN2
SCHEMBL29993273 0.76 SMN1; SMN2 (0.47) HPGDKDM1ACTSKUSP2SMN1; SMN2
SCHEMBL7405157 0.72 USP2 (0.40) HPGDCHRM4DRD2HTR7KDM1A
SCHEMBL7405154 0.72 USP2 (0.40) HPGDCHRM4DRD2HTR7KDM1A
SCHEMBL31715308 0.71 USP2 (0.39) HPGDKDM1ACTSKUSP2SMN1; SMN2
SCHEMBL20645659 0.71 USP2 (0.46) GRM5HPGDCHRM4USP2SMN1; SMN2
Formic Acid SCHEMBL29026228 0.69 HPGD (0.34) GRM5HPGDKDM1ACTSKUSP2
SCHEMBL28882231 0.69 GRM5 (0.31) GRM5USP2SMN1; SMN2
SCHEMBL31322461 0.69 CTSK (0.40) HPGDCHRM4DRD2HTR7KDM1A

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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