SCHEMBL4514756

SCHEMBL4514756

[CH2]C(C#N)C#CCCC

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
SCHEMBL8535771 0.76
SCHEMBL8536436 0.76
SCHEMBL1409087 0.72
SCHEMBL5165527 0.70
SCHEMBL8385156 0.67 PTPN7 (0.42)
SCHEMBL5166864 0.67
SCHEMBL5167273 0.67
SCHEMBL5167006 0.67
SCHEMBL4228441 0.66
SCHEMBL5170513 0.65 THRB (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1395585-B1 ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2006-01-04 EP disclosed
US-6924377-B2 Process for preparing highly functionalized γ-butyrolactams and γ-amino acids WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-6864259-B2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 2005-03-08 US disclosed
EP-1499583-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS Warner-Lambert Company LLC (US) 2005-01-26 EP disclosed
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
EP-1395585-A1 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-10 EP disclosed
US-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-25 US disclosed
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-04 US disclosed
WO-2003093220-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 WO disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
US-20030114458-A1 Antibacterial agents WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO disclosed
WO-2002096908-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-05 WO disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed