R-Nadolol

R-Nadolol

SCHEMBL1134021

CC(C)(C)NCC(O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2

The experimentally established mechanism targets of R-Nadolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 known ✓ P07550 9/20 1.00
▸ ADRB1 known ✓ P08588 6/20 1.00
▸ TSHR P16473 2/20 1.00
▸ ADRA1A P35348 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ RECQL P46063 1/20 1.00
▸ HTR1A P08908 5/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ ADRA2A P08913 3/20 0.56
▸ SLC6A2 P23975 2/20 0.56
▸ ADRB3 P13945 2/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ OPRK1 P41145 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CHRM1 P11229 1/20 0.55

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
R-Nadolol SCHEMBL4177 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
R-Nadolol SCHEMBL30228708 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
Nadolol SCHEMBL1134022 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
S-Nadolol SCHEMBL124014 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
R-Nadolol SCHEMBL17261862 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
R-Nadolol SCHEMBL6508581 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
R-Nadolol SCHEMBL29687486 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
R-Nadolol SCHEMBL12493069 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
R-Nadolol SCHEMBL29809024 1.00 ADRB2 (1.00) ADRB2ADRB1TSHRADRA1ALMNA
R-Nadolol SCHEMBL28846580 0.99 ADRB2 (0.98) ADRB2ADRB1TSHRADRA1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001113-A Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA MERCK & CO., INC. (US) 1991-03-19 — — US claimed
EP-0389127-A1 Renin-inhibitory di-, tri-, and tetrapeptides MERCK & CO. INC. (US) 1990-09-26 — — EP claimed
EP-0312291-A2 Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA MERCK & CO. INC. (US) 1989-04-19 — — EP claimed
EP-0312158-A2 Tetrapeptide renin inhibitors having novel c-terminal amino acid amide MERCK & CO. INC. (US) 1989-04-19 — — EP claimed
EP-0312157-A2 Tetrapeptide renin inhibitors having a novel c-terminal amino acid MERCK & CO. INC. (US) 1989-04-19 — — EP claimed
EP-0312283-A2 Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA MERCK & CO. INC. (US) 1989-04-19 — — EP claimed
US-4782043-A HYPOTENSIVES MERCK & CO., INC. (US) 1988-11-01 — — US claimed
EP-0273696-A2 Renin inhibitors containing histidine replacements MERCK & CO. INC. (US) 1988-07-06 — — EP claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP 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-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
US-20220047608-A1 Method of Treatment and Pharmaceutical Composition for Morning Hypertension Dharma Laboratories LLC (US) 2022-02-17 — — US disclosed
EP-2205639-B1 ANTI-PCSK9 AND METHODS FOR TREATING LIPID AND CHOLESTEROL DISORDERS MERCK SHARP & DOHME (US) 2015-12-23 — — EP disclosed
US-9089522-B2 Method of reducing total cholesterol level by administering matrilin-2 polypeptide MERCK SHARP & DOHME CORP. (US) 2015-07-28 — — US disclosed
US-4302453-A Antiarrhythmic tetrahydronaphthalene derivatives E. R. SQUIBB & SONS, INC. (US) 1981-11-24 — — US disclosed
EP-0028940-A1 Antiarrhythmic tetrahydronaphthalene derivatives E.R. Squibb & Sons, Inc. (US) 1981-05-20 — — EP disclosed
US-4029676-A ANTIADRENERGIC, ANTIFIBRILLATORY E. R. SQUIBB & SONS, INC. (US) 1977-06-14 — — US disclosed
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