SCHEMBL917879

SCHEMBL917879

C1=CC2=C(CC1)CC[N]2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL18932499 0.71
SCHEMBL2499715 0.64
SCHEMBL2505546 0.64
SCHEMBL13896136 0.62
SCHEMBL2499719 0.62
SCHEMBL2498770 0.62
SCHEMBL2505598 0.62
SCHEMBL18792330 0.61
SCHEMBL5301971 0.61
SCHEMBL17080877 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP claimed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
EP-1009740-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME Merck & Co., Inc. (US) 2000-06-21 EP claimed
WO-1998041509-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO claimed
US-5614497-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISEASE AND RENAL DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 US claimed
US-4645525-A Azolyoxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 US claimed
EP-0100044-B1 SUBSTITUTED 3-TRIHALOGEN METHYL-1,2,4-THIADIAZOL-5-YL-OXYACETIC ACID AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1987-01-21 EP claimed
EP-0100045-B1 SUBSTITUTED 3-TRICHLOROMETHYL-1,2,4-THIADIAZOL-5-YL-OXYACETIC ACID AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS HERBICIDES BAYER AG (DE) 1987-01-21 EP claimed
US-4549899-A Hericidally active novel substituted 3-trihalogenomethyl-1,2,4-thiadiazol-5-yl-oxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-10-29 US claimed
US-4540430-A Herbicidally active novel substituted 3-trichloromethyl-1,2,4-thiadiazol-5-yl-oxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US claimed
EP-0029183-B1 TETRAZOLYLOXYCARBON AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1983-01-12 EP claimed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 US claimed
EP-0005501-B1 HETEROARYLOXY-ACETAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-11-25 EP claimed