SCHEMBL808836

SCHEMBL808836

CCCN(CCC)CCC.CCN(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
HTR1A P08908 1/20 0.34
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
CA1 P00915 2/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33

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
Trimethylammonium SCHEMBL28069178 0.93 KCNH2 (0.34) KCNH2HRH3CA12CA2CA9
SCHEMBL10714277 0.89 KCNH2 (0.35) KCNH2HRH3CA12CA2CA9
SCHEMBL10714595 0.89 KCNH2 (0.35) KCNH2HRH3CA12CA2CA9
SCHEMBL155749 0.88
SCHEMBL44445 0.88
SCHEMBL5358 0.88 HRH3 (0.41) HRH3CA12CA2CA9DRD2
SCHEMBL21224483 0.88 HRH3 (0.41) HRH3CA12CA2CA9DRD2
SCHEMBL2729745 0.88 HRH3 (0.41) HRH3CA12CA2CA9DRD2
SCHEMBL10712412 0.85 KCNH2 (0.37) KCNH2HRH3CA12CA2CA9
Hydrochloric Acid SCHEMBL11844137 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38934-E1 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-01-10 US claimed
US-20230068976-A1 PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTRIC CONVERSION DEVICE INCLUDING THE PHOTOELECTRIC CONVERSION ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-03-02 US disclosed
EP-4122930-A1 PHOTOELECRIC CONVERSION ELEMENT AND PHOTOELECRIC CONVERSION DEVICE COMPRISING SAID PHOTOELECRIC CONVERSION ELEMENT Canon Kabushiki Kaisha (JP) 2023-01-25 EP disclosed
CN-108473528-A High intensity sweetner 赛诺米克斯公司 2018-08-31 CN disclosed
CN-106634516-A Highly anti-corrosion water-based electroplating sealing agent and preparation method thereof 广东达志环保科技股份有限公司 2017-05-10 CN disclosed
CN-101561425-B Electrochemiluminescence detection device of pressurized-capillary electrochromatography UNIV FUZHOU 2012-03-14 CN disclosed
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
CN-101561425-A Electrochemiluminescence detection device of pressurized-capillary electrochromatography UNIV FUZHOU (CN) 2009-10-21 CN disclosed
EP-0902786-B1 SYNTHESIS OF CYCLOALKYLDIARYLPHOSPHINES ALBEMARLE CORP (US) 2005-06-22 EP disclosed
US-6841648-B2 Polymers modified by functional groups BAYER AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
EP-1146067-A1 PROCESS AND APPARATUS FOR CONTINUOUS PRODUCTION OF CROSSLINKED POLYMER Mitsui Chemicals, Inc. (JP) 2001-10-17 EP disclosed
US-4883868-A 7-amino-3-(substituted isoindolinium)methyl-3-cephem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
EP-0252637-A2 Composition for the adhesive activation of polymeric material, process for treating polymeric material with an adhesive activating composition and the polymeric material thus activated CELANESE CORPORATION (US) 1988-01-13 EP disclosed
EP-0020548-A4 PHOTOCURABLE COATING COMPOSITION. GEN ELECTRIC (US) 1981-02-12 EP disclosed
EP-0020548-A1 PHOTOCURABLE COATING COMPOSITION GENERAL ELECTRIC COMPANY (US) 1981-01-07 EP disclosed
US-4225706-A Polychalcogen ester of cephem compound, process for preparing the same and method for removing the protective group of the same MEIJI SEIKA KAISHA LTD. (JP) 1980-09-30 US disclosed
WO-1980000848-A1 PHOTOCURABLE COATING COMPOSITION GEN ELECTRIC (US) 1980-05-01 WO disclosed
US-4197173-A Photocurable polyene-polythiol-siloxane-polyester composition for coating GENERAL ELECTRIC COMPANY (US) 1980-04-08 US disclosed
US-4196151-A Process for producing β,γ-unsaturated aldehyde NIPPON OIL AND FATS CO., LTD. (JP) 1980-04-01 US disclosed
US-RE29558-E Lincomycin analogs THE UPJOHN COMPANY (US) 1978-02-28 US disclosed