Isbogrel

Isbogrel

SCHEMBL7766547

O=C(O)CCCC/C=C(/c1ccccc1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 1.00
TBXA2R P21731 1/20 1.00

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
(E)-Isbogrel SCHEMBL4061 1.00 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL4060 1.00 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL10632111 0.99 TBXAS1 (0.97) TBXAS1TBXA2R
SCHEMBL10616376 0.99 TBXAS1 (1.00) TBXAS1TBXA2R
(E)-Isbogrel SCHEMBL10632121 0.99 TBXAS1 (0.97) TBXAS1TBXA2R
SCHEMBL10616364 0.99 TBXAS1 (1.00) TBXAS1TBXA2R
Isbogrel SCHEMBL10632116 0.99 TBXAS1 (0.97) TBXAS1TBXA2R
SCHEMBL10634966 0.99 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10634973 0.99 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL10680940 0.99 TBXAS1 (1.00) TBXAS1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727078-A ANTICOAGULANT, ANTIISCHEMIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-23 US claimed
EP-0098690-B1 VINYL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1987-09-09 EP claimed
EP-0098690-A2 Vinyl carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-01-18 EP claimed
JP-2078618-A None JP disclosed
JP-11240834-A None JP disclosed
JP-8104673-A None JP disclosed
JP-58219162-A None JP disclosed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 WO disclosed
US-6028094-A Agent for prevention and suppression of dry coughing caused by angiotensin converting enzyme inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-02-22 US disclosed
JP-H11240834-A TRANSIENT ISCHEMIC ATTACK INHIBITOR TAKEDA CHEM IND LTD 1999-09-07 JP disclosed
EP-0875254-A1 AGENT FOR PREVENTION AND DEPRESSION OF DRY COUGHING CAUSED BY ANGIOTENSIN CONVERTING ENZYME INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
EP-0337640-B1 PROCESS FOR PRODUCING SUBSTITUTED VINYL PYRIDINES Takeda Chemical Industries, Ltd. (JP) 1993-08-11 EP disclosed
JP-H0278618-A ANTIALLERGIC AGENT TAKEDA CHEM IND LTD 1990-03-19 JP disclosed
EP-0337640-A1 Process for producing substituted vinyl pyridines Takeda Chemical Industries, Ltd. (JP) 1989-10-18 EP disclosed
US-4760068-A Enzyme inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-07-26 US disclosed
US-4727078-A ANTICOAGULANT, ANTIISCHEMIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-23 US disclosed
US-4727078-A ANTICOAGULANT, ANTIISCHEMIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-23 US disclosed
EP-0098690-B1 VINYL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1987-09-09 EP disclosed
EP-0098690-A2 Vinyl carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-01-18 EP disclosed
JP-S58219162-A SUBSTITUTED VINYLCARBOXYLIC ACID DERIVATIVE AND ITS PREPARATION TAKEDA CHEM IND LTD 1983-12-20 JP disclosed