SCHEMBL489475

SCHEMBL489475

C1=CNCN=C1.[CaH2]

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
SCHEMBL121629 0.97
SCHEMBL7159993 0.94
SCHEMBL5571161 0.81
SCHEMBL2114538 0.76
SCHEMBL3497375 0.69
SCHEMBL31118099 0.69
SCHEMBL1651586 0.65
SCHEMBL17762727 0.64
SCHEMBL13192015 0.57
SCHEMBL31054450 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470108-B1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2016-08-24 EP disclosed
EP-1542683-B1 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS INC (US) 2013-01-09 EP disclosed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
CN-100453534-C Substituted dihydropyrimidinone preparation using polyaniline salt catalyst COUNCIL SCIENT IND RES (IN) 2009-01-21 CN disclosed
US-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US disclosed
US-7232905-B2 Substituted dihydropyrimidinone preparation using polyaniline salt catalyst COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-19 US disclosed
CN-1886382-A Preparation of Substituted Dihydropyrimidinones Using Polyaniline Salt Catalysts COUNCIL SCIENT IND RES (IN) 2006-12-27 CN disclosed
US-20050215790-A1 Substituted dihydropyrimidinone preparation using polyaniline salt catalyst COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-09-29 US disclosed
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2005-07-21 US disclosed
WO-2005063719-A1 SUBSTITUTED DIHYDROPYRIMIDINONE PREPARATION USING POLYANILINE SALT CATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO disclosed
EP-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 EP disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US disclosed
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels Knobbe, Martens, Olson & Bear, LLP 2004-01-08 US disclosed