SCHEMBL4682940

SCHEMBL4682940

[CH]1CCCN(CCc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.67
SIGMAR1 Q99720 4/20 0.65
MAOA P21397 2/20 0.62
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ACHE P22303 1/20 0.49
LTA4H P09960 1/20 0.47

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
SCHEMBL10696745 0.90 MAOA (0.64) SLC6A3SIGMAR1MAOAHRH3LTA4H
SCHEMBL6397596 0.89 MAOA (0.71) SLC6A3SIGMAR1MAOAHTR1ADRD2
SCHEMBL9432281 0.87 SIGMAR1 (0.71) SLC6A3SIGMAR1MAOALTA4H
SCHEMBL1808667 0.81 SIGMAR1 (0.57) SLC6A3SIGMAR1HRH3ACHE
SCHEMBL2876271 0.81 SLC6A3 (1.00) SLC6A3SIGMAR1HTR1ADRD2HRH3
SCHEMBL9597186 0.81 SLC6A3 (0.91) SLC6A3SIGMAR1HTR1ADRD2HRH3
SCHEMBL11922748 0.79 SIGMAR1 (1.00) SLC6A3SIGMAR1HTR1ADRD2HRH3
1-Phenethylpiperidine SCHEMBL4054824 0.79 SIGMAR1 (1.00) SLC6A3SIGMAR1HTR1ADRD2HRH3
1-Phenethylpiperidine SCHEMBL917609 0.79 SIGMAR1 (1.00) SLC6A3SIGMAR1HTR1ADRD2HRH3
Iodide SCHEMBL3691021 0.79 SLC6A3 (0.96) SLC6A3SIGMAR1HTR1ADRD2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1671690-A Antimicrobial azabicyclic derivatives, compositions and uses thereof PROCTER & GAMBLE (US) 2005-09-21 CN disclosed
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
CN-1039999-C Vasopressin antagonist and oxytocin antagonist, process for their preparation and pharmaceutical compositions containing them OTSUKA CHEMICAL CO LTD (JP) 1998-09-30 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed