SCHEMBL29548009

SCHEMBL29548009

Cc1cc(C)c(C2c3ccccc3N(c3ccccc3)c3ccccc32)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
HTR1A P08908 1/20 0.32
ADRB3 P13945 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ADRA2C P18825 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31

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
Hydrochloric Acid SCHEMBL28765836 0.98 SLC6A2 (0.31) ADRA2AADRA2BHTR1AADRB3DRD4
SCHEMBL28450185 0.94
Perchlorate SCHEMBL31322477 0.92
SCHEMBL29678246 0.88 ALDH1A1 (0.36) DRD4MAPTALDH1A1MEN1KMT2A
SCHEMBL28419163 0.84 ALDH1A1 (0.38) SLC6A2HTR7SLC6A3MAPTALDH1A1
Bromide SCHEMBL28417491 0.83 ALDH1A1 (0.37) SLC6A2HTR7SLC6A3MAPTALDH1A1
SCHEMBL29724196 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25541511 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL30185869 0.81
SCHEMBL22705247 0.79 GAA (0.36) ADRA2AADRA2BHTR1AADRB3DRD4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219466-A Difluoro cyclobutane parallel ring compound, preparation method and application thereof 武汉大学 2024-12-31 CN claimed
CN-118307410-A Preparation method of chiral secondary alcohol compound 武汉大学 2024-07-09 CN claimed
CN-117946149-A Beta-alkyl substituted silane compound, preparation method and application thereof 武汉大学 2024-04-30 CN claimed
CN-114456134-B Alpha-fluoroalkyl substituted cyclopropyl alcohol compound, and preparation method and application thereof 武汉大学 2024-04-26 CN claimed
CN-117659015-A Synthesis method for promoting 6-alkyl purine nucleoside by using water system illumination 新乡学院 2024-03-08 CN claimed
CN-114456206-B Alpha-fluoroalkyl substituted cyclopropylether/alcohol, preparation method and application thereof 武汉大学 2023-09-12 CN claimed
CN-115504978-A Method for synthesizing adenine derivative by using 6-hydrazinopurine derivative as raw material 新乡学院 2022-12-23 CN claimed
CN-114773344-A Method for synthesizing 2/6-iodopurine derivative by visible light induced hydrazine removal-iodination reaction 新乡学院 2022-07-22 CN claimed
CN-112939825-B Sulfenamide compound and preparation method and application thereof 浙江理工大学 2022-07-19 CN claimed
CN-114456206-A Alpha-fluoroalkyl substituted cyclopropenyl ether (alcohol), preparation method and application thereof 武汉大学 2022-05-10 CN claimed
CN-114456134-A Alpha-fluoroalkyl substituted cyclopropyl alcohol compound, and preparation method and application thereof 武汉大学 2022-05-10 CN claimed
CN-119219467-A Benzodifluoro cyclohexane bridged ring compound, preparation method and application thereof 武汉大学 2024-12-31 CN disclosed
CN-119219466-A Difluoro cyclobutane parallel ring compound, preparation method and application thereof 武汉大学 2024-12-31 CN disclosed
CN-118307410-A Preparation method of chiral secondary alcohol compound 武汉大学 2024-07-09 CN disclosed
CN-117659015-A Synthesis method for promoting 6-alkyl purine nucleoside by using water system illumination 新乡学院 2024-03-08 CN disclosed
CN-112939825-B Sulfenamide compound and preparation method and application thereof 浙江理工大学 2022-07-19 CN disclosed
CN-114685425-A Preparation method of thiacrown ether compound 广州自远生物科技有限公司 2022-07-01 CN disclosed
CN-114605237-A Preparation method and application of fluoroalkyl ketone compound 武汉大学 2022-06-10 CN disclosed
CN-114456206-A Alpha-fluoroalkyl substituted cyclopropenyl ether (alcohol), preparation method and application thereof 武汉大学 2022-05-10 CN disclosed
CN-114456134-A Alpha-fluoroalkyl substituted cyclopropyl alcohol compound, and preparation method and application thereof 武汉大学 2022-05-10 CN disclosed