SCHEMBL4538641

SCHEMBL4538641

O=NN1CCCCC1c1cccnc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.91
CHRNA7 P36544 5/20 0.64
CHRNB2 P17787 4/20 0.64
CHRNA4 P43681 4/20 0.64
CHRNB4 P30926 2/20 0.57
CHRNA3 P32297 2/20 0.57
CHRNA2 Q15822 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
LMNA P02545 1/20 0.57
HTR3E A5X5Y0 1/20 0.57
PSIP1 O75475 1/20 0.57
TRPA1 O75762 1/20 0.57
HTR3B O95264 1/20 0.57
CHRNA1 P02708 1/20 0.57
CHRNG P07510 1/20 0.57
MAPT P10636 1/20 0.57
CHRNB1 P11230 1/20 0.57
CYP2A6 P11509 1/20 0.57
PTGS1 P23219 1/20 0.57
CHRNA5 P30532 1/20 0.57

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
SCHEMBL29350350 1.00 ALDH1A1 (0.91) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL12894032 0.95 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL29349441 0.95 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL166107 0.95 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL29429735 0.95 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL14113737 0.95 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL19958134 0.87 ALDH1A1 (0.69) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL12182488 0.78 CHRNA7 (0.68) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL5293891 0.78 CHRNB2 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL3612339 0.78 CHRNB2 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118222486-A Primary liver cell proliferation culture composition, culture medium, culture method and application of primary liver cell proliferation culture composition 广东乾晖生物科技有限公司 2024-06-21 CN disclosed
US-11968983-B2 Tobacco leaf foliar spraying substance and method for reducing harmful ingredients in cheroot and tobacco shreds Hubei Institute of Tobacco Science (CN) 2024-04-30 US disclosed
US-20230329246-A1 TOBACCO LEAF FOLIAR SPRAYING SUBSTANCE AND METHOD FOR REDUCING HARMFUL INGREDIENTS IN CHEROOT AND TOBACCO SHREDS Hubei Institute of Tobacco Science (CN) 2023-10-19 US disclosed
WO-2023145126-A1 METHOD FOR PRODUCING TOBACCO RAW MATERIAL, AND TOBACCO RAW MATERIAL 日本たばこ産業株式会社 2023-08-03 WO disclosed
CN-115226729-B Tobacco leaf surface spraying material and method for reducing harmful ingredients of cigar and tobacco shreds 湖北省烟草科学研究院 2023-04-07 CN disclosed
CN-115226729-A Tobacco leaf surface spraying material and method for reducing harmful ingredients of cigars and tobacco shreds 湖北省烟草科学研究院 2022-10-25 CN disclosed
US-20180070627-A1 Improvements in methods of treating tobacco BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2018-03-15 US disclosed
US-9844230-B2 Molecularly imprinted polymers selective for nitrosamines and methods of using the same BRITISH AMERICAN TOBACCO (INVESTMENTS) LTD (GB) 2017-12-19 US disclosed
US-9844230-B2 Molecularly imprinted polymers selective for nitrosamines and methods of using the same BRITISH AMERICAN TOBACCO (INVESTMENTS) LTD (GB) 2017-12-19 US disclosed
WO-2016147001-A1 Improvements in methods of treating tobacco BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2016-09-22 WO disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2013108001-A1 SELECTIVE SEPARATION OF NITROSO-CONTAINING COMPOUNDS BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2013-07-25 WO disclosed
US-20130139834-A1 Polymers Selective for Nitro-Containing Compounds and Methods of Using the Same BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2013-06-06 US disclosed
US-20130139835-A1 Polymers Selective for Tobacco Specific Nitrosamines and Methods of Using the Same BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2013-06-06 US disclosed
US-20130139834-A1 Polymers Selective for Nitro-Containing Compounds and Methods of Using the Same BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2013-06-06 US disclosed
US-20130139835-A1 Polymers Selective for Tobacco Specific Nitrosamines and Methods of Using the Same BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2013-06-06 US disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-20110041859-A1 Molecularly Imprinted Polymers Selective for Tobacco Specific Nitrosamines and Methods of Using the Same BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2011-02-24 US disclosed
US-20070186940-A1 Molecularly imprinted polymers selective for nitrosamines and methods of using the same BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2007-08-16 US disclosed
US-20070186940-A1 Molecularly imprinted polymers selective for nitrosamines and methods of using the same BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2007-08-16 US disclosed