SCHEMBL46

SCHEMBL46

C[CH]c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2A6 P11509 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
RXRA P19793 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL1968076 0.87 HPRT1 (0.58) CHATALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL1971147 0.82 HSD17B10 (0.48) CHATALDH1A1CYP2A6MTNR1AMTNR1B
SCHEMBL1681129 0.81 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL29693644 0.81 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL612947 0.81 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL272577 0.81 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL29563633 0.81 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL303721 0.79 ALDH1A1 (0.46) CHATALDH1A1CYP2A6PTGS1PTGS2
SCHEMBL816177 0.79 TSHR (0.50) CHATALDH1A1CYP2A6MTNR1AMTNR1B
SCHEMBL2494362 0.79 TSHR (0.50) CHATALDH1A1CYP2A6MTNR1AMTNR1B

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

Appears in 13221 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324824-A Multifunctional chiral multidentate phosphine ligand, preparation and application thereof 凯特立斯(深圳)科技有限公司 2024-07-12 CN claimed
CN-114981253-B Process and intermediates for preparing chroman compounds and methods therefor 印度鲁宾有限公司 2024-06-18 CN claimed
CN-118184681-A Spiro 1,2, 4-triazole carbene metal complex, intermediate, preparation method and application thereof 浙江工业大学 2024-06-14 CN claimed
CN-114929680-B Process for preparing chroman compounds 印度鲁宾有限公司 2024-06-14 CN claimed
CN-117567332-A Method for simultaneously synthesizing thioether compounds and nitrile compounds 石河子大学 2024-02-20 CN claimed
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 CN claimed
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO claimed
CN-116120919-A Triplet-triplet annihilation up-conversion luminescent material based on thermal activation and preparation and application thereof 中国科学院理化技术研究所 2023-05-16 CN claimed
US-11530234-B2 CD73 inhibitors and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-12-20 US claimed
CN-111253739-B DOPO derivative/carbon nanotube synergistic flame-retardant glass fiber nylon composite material 贵州省材料产业技术研究院(贵州省复合改性聚合物材料工程技术研究中心、国家复合改性聚合物材料工程技术研究中心) 2022-12-02 CN claimed
EP-0044158-B1 NOVEL OPTICALLY ACTIVE IMIDAZOLIDIN-2-ONE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP claimed
EP-0106652-A1 Beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-04-25 EP claimed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP claimed
US-4366102-A Process for the preparation of chloroformic acid aryl esters BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US claimed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP claimed
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP claimed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US claimed
US-4206295-A Process of preparing poly[{alkyl-(3-ammoniopropyl)iminio}trimethylene dihalides] MERCK & CO., INC. (US) 1980-06-03 US claimed
US-4158016-A CONTACTING WITH AN ALKALI METAL POLYCYCLIC AROMATIC HYDROCARBON CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-06-12 US claimed
US-4119726-A ANTISECRETORY AGENTS, BRONCHODILATORS, ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1978-10-10 US claimed