SCHEMBL29646136

SCHEMBL29646136

O[13C]12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
GRIN2D O15399 4/20 0.44
GRIN3B O60391 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
GRIN2B Q13224 4/20 0.44
GRIN2C Q14957 4/20 0.44
GRIN3A Q8TCU5 4/20 0.44
LMNA P02545 2/20 0.44
SLC22A2 O15244 2/20 0.44
SLC47A1 Q96FL8 2/20 0.44
SLC22A1 O15245 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
STAT6 P42226 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL1150449 1.00 PKM (0.48) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2126658 1.00 PKM (0.48) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL148421 1.00 PKM (0.48) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23333268 1.00 PKM (0.48) PKMGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL4717994 0.96 LMNA (0.47) PKMGRIN2DGRIN3BGRIN1GRIN2A
Adamantane SCHEMBL8487115 0.96 PKM (0.46) PKMGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL4657712 0.96 LMNA (0.47) PKMGRIN2DGRIN3BGRIN1GRIN2A
Ammonia Solution, Strong SCHEMBL572798 0.96 PKM (0.46) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31665947 0.96 PKM (0.46) PKMGRIN2DGRIN3BGRIN1GRIN2A
Methane SCHEMBL6564041 0.96 PKM (0.46) PKMGRIN2DGRIN3BGRIN1GRIN2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675593-B Method for selectively removing hydroxyl protecting group 大连理工大学 2025-05-27 CN disclosed
CN-115108923-A Trans-amantadine ammonia derivative or salt thereof, and preparation method, composition and application thereof 成都施贝康生物医药科技有限公司 2022-09-27 CN disclosed
CN-115108939-A Intermediate of trans-4- [ (2-amino-3, 5-dibromo benzyl) amino ] -adamantan-1-ol and preparation method thereof 成都施贝康生物医药科技有限公司 2022-09-27 CN disclosed
CN-114685292-A Use of trans-adamantanamine derivatives or salts thereof 成都施贝康生物医药科技有限公司 2022-07-01 CN disclosed