SCHEMBL149259

SCHEMBL149259

NCC(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 1.00
TAAR1 Q96RJ0 4/20 1.00
CHRNB2 P17787 1/20 0.76
CHRNA4 P43681 1/20 0.76
HRH1 P35367 2/20 0.62
CHRNA7 P36544 1/20 0.52
AKT2 P31751 1/20 0.52
DPP4 P27487 2/20 0.50
F2 P00734 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
Bromide SCHEMBL6737914 0.97 HTR2A (0.94) HTR2ATAAR1CHRNB2CHRNA4HRH1
Hydrochloric Acid SCHEMBL8550503 0.97 HTR2A (0.94) HTR2ATAAR1CHRNB2CHRNA4HRH1
Water SCHEMBL28365853 0.97 HTR2A (0.94) HTR2ATAAR1CHRNB2CHRNA4HRH1
Hydroxyamine SCHEMBL4363096 0.94 HTR2A (0.89) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL38652540 0.94 HTR2A (0.89) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL757855 0.87 TAAR1 (0.76) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL9531164 0.85 HTR2A (1.00) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL9958098 0.85 HTR2A (0.73) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL21068075 0.85 HTR2A (0.73) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL248883 0.85 HTR2A (0.73) HTR2ATAAR1CHRNB2CHRNA4HRH1

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 2101 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561775-A Preparation method of novel tetralactam macrocyclic rotaxane 上海大学 2024-08-30 CN claimed
CN-117089054-A Method for preparing polyurethane modified alkyd resin and preparation of high-gloss wear-resistant varnish 扬州市祥华新材料科技有限公司 2023-11-21 CN claimed
WO-2023150618-A2 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2023-08-10 WO claimed
CN-116444776-A Method for preparing polyurethane modified alkyd resin and preparation of high-gloss wear-resistant varnish 扬州市祥华新材料科技有限公司 2023-07-18 CN claimed
CN-115449364-A Lead-free double perovskite luminescent material and preparation method thereof 苏州大学 2022-12-09 CN claimed
CN-115029007-A Asphalt composite seal construction method for airport runway 杭州傲翔控股有限公司 2022-09-09 CN claimed
CN-114058422-B Mannich ashless dispersant and preparation method thereof 中国石油天然气股份有限公司 2022-08-05 CN claimed
CN-114773347-A Benzimidazole compound based on ortho-substitution and application thereof 宁波卢米蓝新材料有限公司 2022-07-22 CN claimed
CN-112625301-B Surface modification treating agent, modified calcium hydroxide and microporous polyurethane elastic material 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-114736208-A Benzimidazole compound based on multi-donor substitution and application thereof 宁波卢米蓝新材料有限公司 2022-07-12 CN claimed
EP-0552489-B1 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-04 EP claimed
US-5663022-A Recording sheets XEROX CORPORATION (US) 1997-09-02 US claimed
US-5614497-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISEASE AND RENAL DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 US claimed
EP-0674232-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP claimed
EP-0552489-A2 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-0104604-B1 1,2,3,4-TETRAHYDRO-1-AMINOMETHYL-4-PHENYL ISOQUINOLINES AND METHODS OF PREPARATION PENNWALT CORPORATION (US) 1988-05-18 EP claimed
EP-0093511-B1 METHOD FOR PRODUCING AND OPTICALLY ACTIVE 2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-24 EP claimed
US-4542235-A Method for producing an optically active 2,2-dimethylcyclopropanecarboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-17 US claimed
EP-0104604-A1 1,2,3,4-Tetrahydro-1-aminomethyl-4-phenyl isoquinolines and methods of preparation PENNWALT CORPORATION (US) 1984-04-04 EP claimed
EP-0093511-A1 Method for producing and optically active 2,2-dimethylcyclopropanecarboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-09 EP claimed