Bunitrolol

Bunitrolol

SCHEMBL34721

CC(C)(C)NC[C@H](O)COc1ccccc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 1.00
ADRA2A P08913 2/20 1.00
ADRA2B P18089 1/20 1.00
MAOA P21397 1/20 1.00
HTR2B P41595 1/20 1.00
CYP2D6 P10635 8/20 0.67
ADRB2 P07550 5/20 0.67
CASR P41180 4/20 0.67
SLC6A2 P23975 3/20 0.67
SLC6A4 P31645 3/20 0.67
KCNH2 Q12809 3/20 0.67
SLC6A3 Q01959 2/20 0.67
ADRB3 P13945 1/20 0.67
MAPT P10636 1/20 0.64
ADRB1 P08588 1/20 0.62
MEN1 O00255 1/20 0.62
SLC22A1 O15245 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60

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
Bunitrolol SCHEMBL6506350 1.00 HTR1A (1.00) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL29354749 1.00 HTR1A (1.00) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL34720 1.00 HTR1A (1.00) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL142696 0.99 HTR1A (0.97) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL6061096 0.99 HTR1A (0.97) HTR1AADRA2AADRA2BMAOAHTR2B
Bunitrolol SCHEMBL142695 0.99 HTR1A (0.97) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10650914 0.90 HTR1A (0.81) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL11747215 0.88 HTR1A (0.79) HTR1AADRA2AADRA2BMAOAHTR2B
Penirolol SCHEMBL1254596 0.88 HTR1A (0.79) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10592687 0.88 HTR1A (0.78) HTR1AADRA2AADRA2BMAOAHTR2B

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

Appears in 3860 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025027194-A1 A METHOD OF PREPARING AN AQUEOUS DISPERSION OF NANOPARTICLES IQ MEDICAL GMBH (DE) 2025-02-06 WO claimed
WO-2025027196-A1 A METHOD OF PRODUCING NANOPARTICLES OF A DEFINED SIZE IQ MEDICAL GMBH (DE) 2025-02-06 WO claimed
EP-4501320-A1 A METHOD OF PREPARING AN AQUEOUS DISPERSION OF NANOPARTICLES IQ medical GmbH (DE) 2025-02-05 EP claimed
WO-2023183932-A2 MONOBODIES BINDING TO INTERCELLULAR ADHESION MOLECULE 2 (ICAM-2) NEW YORK UNIVERSITY (US) 2023-09-28 WO claimed
EP-3485908-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS MEREO BIOPHARMA 5 INC (US) 2021-08-18 EP claimed
US-10788500-B2 IL1RL-1 as a cardiovascular disease marker and therapeutic target BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2020-09-29 US claimed
US-10377779-B2 Carbonate prodrugs and methods of using the same ACORDA THERAPEUTICS, INC. (US) 2019-08-13 US claimed
EP-2699625-B1 NANOPARTICLES COMPRISING ESTERS OF POLY (METHYL VINYL ETHER-CO-MALEIC ANHYDRIDE) AND USES THEREOF BIONANOPLUS S L (ES) 2019-03-20 EP claimed
EP-3072526-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS ONCOMED PHARM INC (US) 2018-09-26 EP claimed
US-20180217160-A1 IL1RL-1 as a Cardiovascular Disease Marker and Therapeutic Target THE BRIGHAM & WOMEN'S HOSPITAL, INC. 2018-08-02 US claimed
EP-0163237-A2 Di- and tri-peptidal renin inhibitors MERCK & CO. INC. (US) 1985-12-04 EP claimed
EP-0157409-A2 Renin inhibitors containing 2-substituted statine MERCK & CO. INC. (US) 1985-10-09 EP claimed
EP-0156318-A2 C-terminal amide cyclic renin inhibitors containing peptide isosteres MERCK & CO. INC. (US) 1985-10-02 EP claimed
EP-0156322-A2 Renin inhibitors containing peptide isosteres MERCK & CO. INC. (US) 1985-10-02 EP claimed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP claimed
EP-0129189-A2 Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same MERCK & CO. INC. (US) 1984-12-27 EP claimed
EP-0105996-A1 Ophthalmic compositions for treating elevated intraocular pressure MERCK & CO. INC. (US) 1984-04-25 EP claimed
US-4303637-A Medication indicated for ocular hypertension ALZA CORPORATION (US) 1981-12-01 US claimed
EP-0037622-A2 Drug delivery insert for controlled ocular therapy ALZA CORPORATION (US) 1981-10-14 EP claimed
US-4281654-A Drug delivery system for controlled ocular therapy ALZA CORPORATION (US) 1981-08-04 US claimed