SCHEMBL1045944

SCHEMBL1045944

c1cnc2c(N3CCNCC3)cccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 1.00
HTR2C P28335 1/20 1.00
SLC6A4 P31645 1/20 1.00
HTR6 P50406 3/20 0.56
HTR7 P34969 3/20 0.56
HTR1A P08908 2/20 0.56
NCF1 P14598 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
MTOR P42345 1/20 0.56
HTR3A P46098 1/20 0.56
HTR5A P47898 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56

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
Hydrochloric Acid SCHEMBL1048620 0.98 HTR2A (0.97) HTR2AHTR2CSLC6A4HTR6HTR7
Methyl Alcohol SCHEMBL27731985 0.95 HTR2A (0.91) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL7515421 0.94 HTR2A (0.88) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL8961462 0.84 HTR2A (0.73) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL29746904 0.84 HTR2A (0.73) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL9673340 0.83 HTR2A (0.71) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL6639825 0.83 HTR2A (0.70) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL3561450 0.81 SLC6A4 (0.68) HTR2AHTR2CSLC6A4HTR6HTR7
SCHEMBL10495676 0.81 HTR2C (0.68) HTR2AHTR2CSLC6A4HTR7HTR1A
SCHEMBL6636331 0.80 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11464759-B2 5-HT6 receptor antagonists for use in the treatment of alzheimer's disease in patient subpopulation carrying APOE4 alleles H. LUNDBECK A/S (DK) 2022-10-11 US disclosed
CN-109069466-B 5-HT6Receptor antagonists for the treatment of Alzheimer's disease with apathy comorbidity H.隆德贝克有限公司 2021-06-15 CN disclosed
EP-3630098-B1 COMBINATION OF A 5-HT6 RECEPTOR ANTAGONIST AND AN ACETYLCHOLINESTERASE INHIBITOR FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE IN A PATIENT SUBPOPULATION CARRYING APOE4 ALLELES H LUNDBECK AS (DK) 2021-03-24 EP disclosed
US-10864191-B2 5-HT6 receptor antagonists for use in the treatment of Alzheimer's disease with apathy as comorbidity H. LUNDBECK A/S (DK) 2020-12-15 US disclosed
EP-3454848-B1 5HT6 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE WITH APATHY AS COMORBIDITY H LUNDBECK AS (DK) 2020-09-09 EP disclosed
CN-111032038-A Pharmaceutical combination for the treatment of alzheimer's disease H.隆德贝克有限公司 2020-04-17 CN disclosed
EP-3630098-A1 COMBINATION OF A 5-HT6 RECEPTOR ANTAGONIST AND AN ACETYLCHOLINESTERASE INHIBITOR FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE IN A PATIENT SUBPOPULATION CARRYING APOE4 ALLELES H. Lundbeck A/S (DK) 2020-04-08 EP disclosed
EP-3454848-A1 5HT6 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE WITH APATHY AS COMORBIDITY H. Lundbeck A/S (DK) 2019-03-20 EP disclosed
CN-109069466-A 5-HT6Receptor antagonist is for treating Alzheimer disease with apathy comorbidity H.隆德贝克有限公司 2018-12-21 CN disclosed
US-20180353477-A1 5-HT6 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE IN PATIENT SUBPOPULATION CARRYING APOE4 ALLELES H. LUNDBECK A/S (DK) 2018-12-13 US disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4833142-A Blood-pressure lowering 4-bicyclic-1-piperazinyl-alkyl amides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-05-23 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 US disclosed
CN-88100986-A Aryl piperazinyl-alkylene phenyl base-heterogeneous ring compound 1988-09-21 CN disclosed
CN-88101642-A Piperazinyl-heterogeneous ring compound 1988-09-14 CN disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 EP disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP disclosed
EP-0138280-B1 BLOOD-PRESSURE LOWERING PIPERAZINE DERIVATIVES DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-08 EP disclosed
EP-0189612-A1 New pharmaceutical compositions having a psychotropic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-08-06 EP disclosed
EP-0138280-A2 Blood-pressure lowering piperazine derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-04-24 EP disclosed