SCHEMBL4682576

SCHEMBL4682576

[CH]1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.78
MAOA P21397 1/20 0.67
POLB P06746 1/20 0.66
LTA4H P09960 1/20 0.64
CCR3 P51677 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
SCHEMBL4685359 0.94 SIGMAR1 (0.71) SIGMAR1MAOAPOLBCCR3
SCHEMBL4681671 0.93 SIGMAR1 (0.74) SIGMAR1MAOAPOLBCCR3
SCHEMBL4686156 0.93 SIGMAR1 (0.74) SIGMAR1MAOAPOLBCCR3
SCHEMBL6405835 0.89 MAOA (0.73) SIGMAR1MAOAPOLBLTA4HCCR3
SCHEMBL96004 0.88 SLC6A3 (0.70) SIGMAR1MAOACCR3
SCHEMBL6550825 0.88 SIGMAR1 (1.00) SIGMAR1POLBLTA4HCCR3
SCHEMBL2962629 0.88 SIGMAR1 (1.00) SIGMAR1POLBLTA4HCCR3
SCHEMBL5302082 0.84 LTA4H (0.86) SIGMAR1POLBLTA4HCCR3
SCHEMBL83687 0.82 SIGMAR1 (0.86) SIGMAR1POLBLTA4HCCR3
SCHEMBL20382580 0.81 LTA4H (0.86) SIGMAR1POLBLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 WO disclosed
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-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-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
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed