SCHEMBL3477567

SCHEMBL3477567

CCCC(I)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
LMNA P02545 1/20 0.43
HRH1 P35367 7/20 0.40
HTR2A P28223 7/20 0.40
SIGMAR1 Q99720 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL27999692 0.87 CYP17A1 (0.46) TAAR1
SCHEMBL5034682 0.86 POLB (0.45) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL31190174 0.85 HRH1 (0.46) LMNAHRH1HTR2ATAAR1
SCHEMBL6686368 0.85 SIGMAR1 (0.44) LMNAHRH1HTR2ASIGMAR1
SCHEMBL6683678 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL5214468 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL28560209 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL282600 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL6680534 0.83 HTR2A (0.45) HTR2ASIGMAR1
SCHEMBL11545835 0.83 HTR2A (0.45) HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353167-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-06-24 EP disclosed
WO-2017051354-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 WO disclosed
WO-2017051353-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 WO disclosed
EP-2958889-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS The Scripps Research Institute (US) 2015-12-30 EP disclosed
WO-2014131023-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-28 WO disclosed
EP-2686342-A2 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE The Government of The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2014-01-22 EP disclosed
WO-2012142245-A2 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE GOVERNMENT OF THE UNITED OF AMERIA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-10-18 WO disclosed
WO-2010132869-A2 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-18 WO disclosed
US-7479504-B2 Edg receptor agonists MERCK & CO., INC. (US) 2009-01-20 US disclosed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1997017962-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
EP-0059983-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR USE AS A MEDICAMENT THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-11 EP disclosed
US-4578522-A CHEMICAL INTERMEDIATES FOR BLOOD LIPID CONTROLLING COMPOUNDS BURROUGHS WELLCOME CO. 1986-03-25 US disclosed
EP-0059983-A1 Substituted biphenyl compounds for use as a medicament THE WELLCOME FOUNDATION LIMITED (GB) 1982-09-15 EP disclosed