SCHEMBL6933897

SCHEMBL6933897

ON(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.70
HTR1A P08908 5/20 0.70
HTR2C P28335 4/20 0.70
HTR2B P41595 3/20 0.70
HTR6 P50406 4/20 0.66
TRPM8 Q7Z2W7 1/20 0.62
TRPV1 Q8NER1 1/20 0.62
SLC6A4 P31645 2/20 0.61
CYP3A4 P08684 3/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61
HTR7 P34969 2/20 0.61
CYP2D6 P10635 2/20 0.61
MPO P05164 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2A6 P11509 1/20 0.61
NFKB1 P19838 1/20 0.61
CTSK P43235 1/20 0.61
CYP2A13 Q16696 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61

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
SCHEMBL28037067 0.86 HTR2A (0.66) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL14950623 0.86 HTR1A (0.76) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL29017882 0.83 HTR1A (0.72) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL29164960 0.83 HTR1A (0.71) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL4985934 0.82 HTR2A (0.77) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL30183060 0.82 HTR2A (0.69) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL30896267 0.82 HTR2A (0.81) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL6602711 0.82 HTR2A (0.70) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL3378673 0.82 HTR2A (0.70) HTR2AHTR1AHTR2CHTR2BHTR6
N,N-Dimethyltryptamine SCHEMBL29350959 0.82 HTR2A (1.00) HTR2AHTR1AHTR2CHTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113314773-A Aqueous zinc ion battery electrolyte and preparation method and application thereof 江苏师范大学 2021-08-27 CN claimed
US-20240085363-A1 METAL-ORGANIC FRAMEWORKS FOR ELECTROCHEMICAL DETECTION OF ANALYTES TRUSTEES OF DARTMOUTH COLLEGE (US) 2024-03-14 US disclosed
US-11852605-B2 Metal-organic frameworks for electrochemical detection of analytes TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-12-26 US disclosed
CN-113314773-A Aqueous zinc ion battery electrolyte and preparation method and application thereof 江苏师范大学 2021-08-27 CN disclosed
CN-113314773-A Aqueous zinc ion battery electrolyte and preparation method and application thereof 江苏师范大学 2021-08-27 CN disclosed
CN-110078654-B Separation method and application of acetyl 5-hydroxytryptamine in walnuts 徐一达 2020-08-04 CN disclosed
WO-2020055474-A2 METAL-ORGANIC FRAMEWORKS FOR ELECTROCHEMICAL DETECTION OF ANALYTES TRUSTEES OF DARTMOUTH COLLEGE (US) 2020-03-19 WO disclosed
CN-105745214-B Tricyclic piperidine compounds 埃科特莱茵药品有限公司 2019-02-19 CN disclosed
CN-107567449-A Tricyclic piperidine compounds 埃科特莱茵药品有限公司 2018-01-09 CN disclosed
EP-2720564-B1 FLOUR-BASED FUNCTIONAL FOOD FUNCTIONAL FOOD RES SRL (IT) 2017-10-18 EP disclosed
US-9632075-B2 Prevention or attenuation of neuropathic pain by bile acids Meselex, Inc. (US) 2017-04-25 US disclosed
US-9011841-B2 Flour-based functional food BUONAMICI GUGLIELMO (IT) 2015-04-21 US disclosed
US-20140296194-A1 PREVENTION OR ATTENUATION OF NEUROPATHIC PAIN AND KIDNEY INJURY BY TAUROURSODEOXYCHOLIC ACID METSELEX, INC. 2014-10-02 US disclosed
EP-2720564-A1 FLOUR-BASED FUNCTIONAL FOOD Functional Food Research Srl (IT) 2014-04-23 EP disclosed
WO-2013067096-A2 PREVENTION OR ATTENUATION OF NEUROPATHIC PAIN AND KIDNEY INJURY BY TAUROURSODEOXYCHOLIC ACID METSELEX, INC. (US) 2013-05-10 WO disclosed
WO-2012137163-A1 FLOUR-BASED FUNCTIONAL FOOD FUNCIONAL FOOD RESEARCH S.R.L. (IT) 2012-10-11 WO disclosed
EP-1368027-A2 USE OF TRYPTOPHAN DERIVATIVES FOR THE SPECIFIC CYTOSTATIC TREATMENT OF SEROTONIN-PRODUCING TUMORS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2003-12-10 EP disclosed
WO-2002074309-A2 USE OF TRYPTOPHAN DERIVATIVES FOR THE SPECIFIC CYTOSTATIC TREATMENT OF SEROTONIN-PRODUCING TUMORS Max-Delbrück-Centrum für Molekulare Medizin (DE) 2002-09-26 WO disclosed