SCHEMBL4729082

SCHEMBL4729082

CN(C)Cc1cc[c]o1

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
SCHEMBL10855305 0.74 SIGMAR1 (0.43)
SCHEMBL6446353 0.69
SCHEMBL146662 0.69
SCHEMBL317653 0.68
SCHEMBL2458150 0.67 ACHE (0.74)
SCHEMBL10796535 0.62 ACHE (0.35)
SCHEMBL82414 0.60 POLB (0.59)
SCHEMBL733240 0.60
SCHEMBL12655116 0.60 ACHE (0.63)
SCHEMBL791682 0.60 NQO1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233961-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-01-12 US claimed
US-20140275013-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-09-18 US claimed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP claimed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP claimed
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO claimed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP claimed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO claimed
US-4808589-A Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-28 US claimed
US-4675406-A Substituted pyrimidinones SMITHKLINE BECKMAN CORPORATION (US) 1987-06-23 US claimed
EP-0049173-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL DERIVATIVES CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-03 EP claimed
EP-0010418-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-07 EP claimed
EP-0087274-A2 Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-08-31 EP claimed
US-4388317-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US claimed
US-4385058-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-05-24 US claimed
EP-0074229-A1 Triazole gastric anti-secretory agents PFIZER INC. (US) 1983-03-16 EP claimed
US-4352933-A Chemical methods and intermediates for preparing substituted pyrimidinones SMITHKLINE BECKMAN CORPORATION (US) 1982-10-05 US claimed
EP-0058055-A2 Process for preparing substituted pyrimidinones and intermediates therefor SMITHKLINE BECKMAN CORPORATION (US) 1982-08-18 EP claimed
EP-0049173-A2 Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-07 EP claimed
EP-0039989-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-18 EP claimed
EP-0010418-A1 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP claimed