SCHEMBL8020079

SCHEMBL8020079

CCc1nc(C)c(C)nc1CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HEXA P06865 2/20 0.30
HEXB P07686 2/20 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
SCHEMBL3457245 0.87 MAPK1 (0.32) MAPK1SMN1; SMN2HTTGAA
SCHEMBL26922197 0.87 MAPK1 (0.32) MAPK1SMN1; SMN2HTTGAA
SCHEMBL10393962 0.86 MAPK1 (0.34) MAPK1SMN1; SMN2HTTGAAHEXA
SCHEMBL8016425 0.81 MEN1 (0.34) HTTGAAMEN1NPC1RAB9A
SCHEMBL14734330 0.80 HTT (0.36) MAPK1SMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL14734455 0.80 MEN1 (0.34) MAPK1SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9621372 0.80 KDM4E (0.32) MAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10391849 0.76 HTT (0.32) HTTGAA
SCHEMBL13093948 0.76
SCHEMBL31207803 0.76 KDM4E (0.39) MAPK1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486811-A Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2024-02-02 CN claimed
CN-110637012-B Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2023-11-24 CN claimed
CN-110637012-A Process for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2019-12-31 CN claimed
CN-104342633-B Volatile dihydropyrazinyl and dihydropyrazine metal complexes 弗萨姆材料美国有限责任公司 2017-07-04 CN claimed
US-20250122402-A1 LONG SHELF-LIFE STABLE MASS POLYMERIZABLE POLYCYCLOOLEFIN COMPOSITIONS CONTAINING PYRIDINE LIGATED PALLADIUM COMPOUNDS PROMERUS, LLC (US) 2025-04-17 US disclosed
WO-2025047604-A1 ANIMAL OIL/FAT FLAVOR-IMPARTING AGENT 味の素株式会社 2025-03-06 WO disclosed
US-20240043391-A1 METHOD FOR PRODUCING ALKYLPYRAZINES SYMRISE AG (DE) 2024-02-08 US disclosed
CN-117486811-A Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2024-02-02 CN disclosed
EP-4287848-A1 METHOD FOR PRODUCING ALKYLPYRAZINES Symrise AG (DE) 2023-12-13 EP disclosed
CN-110637012-B Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2023-11-24 CN disclosed
CN-116806122-A Process for the preparation of alkylpyrazine 西姆莱斯有限公司 2023-09-26 CN disclosed
WO-2022167055-A1 METHOD FOR PRODUCING ALKYLPYRAZINES SYMRISE AG (DE) 2022-08-11 WO disclosed
CN-110637012-A Process for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2019-12-31 CN disclosed
WO-2013027794-A1 NOVEL COMPOUND AND USE THEREOF AS PDE10 INHIBITOR 田辺三菱製薬株式会社 (JP) 2013-02-28 WO disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
CN-1211473-C Method for producing cigarette spicery made from extractive material of tobacco as raw material HUABAO DEODORIZATION SCIENCE A (CN) 2005-07-20 CN disclosed
CN-1415717-A Method for producing cigarette spicery made from extractive material of tobacco as raw material HUABAO DEODORIZATION SCIENCE A (CN) 2003-05-07 CN disclosed
WO-2000022946-A1 SMOKING ARTICLE HAVING INCREASED AMINO ACID CONTENT R. J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed
US-6030462-A COMPRISES SELECTIVELY ENRICHED CONTENT OF AT LEAST ONE AMINO ACID SELECTED FROM THE GROUP CONSISTING OF SERINE, THREONINE AND ANALOGS THEREOF, AND IS SUBSTANTIALLY FREE OF EXOGENOUS NON-SUGAR MAILLARD-FUNCTIONAL CARBONYL COMPOUNDS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-02-29 US disclosed
US-5413122-A Method of providing flavorful and aromatic compounds R. J. REYNOLDS TOBACCO COMPANY (US) 1995-05-09 US disclosed