SCHEMBL4953373

SCHEMBL4953373

OCC1=NCCN1

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
Hydrochloric Acid SCHEMBL11001840 0.97
SCHEMBL216716 0.80
SCHEMBL1362592 0.78 NISCH (0.65)
SCHEMBL10378155 0.78 TAAR1 (0.61)
SCHEMBL8031304 0.77
SCHEMBL7981526 0.76 HTR1D (0.64)
SCHEMBL1001560 0.74
SCHEMBL6968723 0.74
SCHEMBL3531301 0.74
SCHEMBL1776390 0.74

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed
US-7425568-B2 Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2008-09-16 US disclosed
EP-1658298-B1 PHOSPHORUS-CONTAINING IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2008-03-26 EP disclosed
US-20070010493-A1 Phospinite-imidazolines and metal complexes thereof SOLVIAS AG (CH) 2007-01-11 US disclosed
EP-1412343-B1 COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORP (FI) 2006-08-30 EP disclosed
EP-1658298-A2 NOVEL ORGANIC COMPOUNDS AND METAL COMPLEXES Solvias AG (CH) 2006-05-24 EP disclosed
WO-2005021562-A2 PHOSPINITE-IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2005-03-10 WO disclosed
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2004-11-25 US disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 WO disclosed
EP-0995790-A1 A lubricating grease composition INDIAN OIL CORPORATION Ltd. (IN) 2000-04-26 EP disclosed
US-5162529-A PROCESS FOR THE PREPARATION OF 5-HYDROXY-3,4,5,6-TETRAHYDRO-PYRIMIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US disclosed
US-4506074-A ANTIDEPRESSANTS, DECONGESTANTS MERCK & CO., INC. (US) 1985-03-19 US disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 US disclosed