SCHEMBL539402

SCHEMBL539402

[c]1cc2c(cn1)CCC2

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
SCHEMBL1313301 0.95 SIGMAR1 (0.39)
SCHEMBL154828 0.93 SIGMAR1 (0.38)
SCHEMBL21591683 0.72 PNMT (0.42)
SCHEMBL21591624 0.72 PNMT (0.42)
SCHEMBL21591733 0.68
SCHEMBL5021300 0.66
SCHEMBL9901767 0.64
SCHEMBL7836137 0.64
SCHEMBL6055806 0.63 ALDH1A1 (0.37)
SCHEMBL12520612 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322417-B1 TARGETING EMOPAMIL BINDING PROTEIN (EBP) WITH SMALL MOLECULES THAT INDUCE AN ABNORMAL FEEDBACK RESPONSE BY LOWERING ENDOGENOUS CHOLESTEROL BIOSYNTHESIS UNIV TEXAS (US) 2023-08-23 EP disclosed
US-11548894-B2 Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-10 US disclosed
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 US disclosed
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-07 US disclosed
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 EP disclosed
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-03 US disclosed
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
US-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC 2019-11-07 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed
US-20030171411-A1 Amide derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2003-09-11 US disclosed
EP-1336607-A1 Amide derivatives as glucokinase activators NOVO NORDISK A/S (DK) 2003-08-20 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed
US-20030130335-A1 Bis-Heteroaryl alkanes as therapeutic agents TRANSTECH PHARMA, LLC 2003-07-10 US disclosed
WO-2003032982-A1 BIS-HETEROARYL ALKANES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2003-04-24 WO disclosed
WO-2003033496-A1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TRANSTECH PHARMA, INC. (US) 2003-04-24 WO disclosed
US-20030064976-A1 Reacting ammonium formate, aldehyde and alkyl isocyanate PHARMACORE, INC. 2003-04-03 US disclosed
WO-2003010130-A1 AMINO ACID DERIVATIVES PHARMACORE, INC. (US) 2003-02-06 WO disclosed