SCHEMBL7797276

SCHEMBL7797276

CCCCN1CCCCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
CFB P00751 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
DRD2 P14416 2/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6798137 0.98 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28309573 0.95 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11938966 0.95 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4318786 0.90 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28516636 0.89 DRD2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18751632 0.87 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11938963 0.87 CHRNA7 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11939423 0.85 ACHE (0.42) CYP3A4CYP2D6KCNH2DRD2DRD4
SCHEMBL11860669 0.84 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22473185 0.83 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110035995-A MAChR M4Positive allosteric modulators 范德比尔特大学 2019-07-19 CN disclosed
CN-106478662-B 5-HT3 receptor antagonist 武田药品工业株式会社 2019-07-02 CN disclosed
CN-109890388-A MAChR M4Positive allosteric modulators 范德比尔特大学 2019-06-14 CN disclosed
CN-109863139-A Muscarinic acetylcholine receptor M4Positive allosteric modulators of 范德比尔特大学 2019-06-07 CN disclosed
CN-109862893-A Muscarinic acetylcholine receptor M4Positive allosteric modulators of 范德比尔特大学 2019-06-07 CN disclosed
CN-109310668-A Positive allosteric modulators of muscarinic acetylcholine receptor M4 范德比尔特大学 2019-02-05 CN disclosed
CN-108779098-A Therapeutic compound 希四克斯探索有限公司 2018-11-09 CN disclosed
CN-108602760-A Indane derivatives as MG L UR7 modulators 武田药品工业株式会社 2018-09-28 CN disclosed
CN-105263922-B Triazole compounds and their use as gamma secretase modulators 阿克图拉姆生命科学股份公司 2018-08-17 CN disclosed
CN-105324372-B 1-sulfonylpiperidine derivatives as prokineticin receptor modulators 武田药品工业株式会社 2018-03-06 CN disclosed
CN-101501024-A Muscarinic receptor agonists that are effective in the treatment of pain, alzheimer's disease and schizophrenia ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
CN-101501025-A Muscarinic receptor agonists that are effective in the treatment of pain, alzheimer's disease and schizophrenia ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
CN-101490056-A Nicotinic acetylcholine receptor ligands 101 ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
CN-101472917-A Benzimidazole 5-sulfonamide derivatives as cannabinoid 1 (CB1) receptor ligands ASTRAZENECA AB (SE) 2009-07-01 CN disclosed
CN-101421237-A Metabotropic glutamate receptor-potentiating soindolones ASTRAZENECA AB (SE) 2009-04-29 CN disclosed
CN-101410392-A Amide-substituted quinolines ASTRAZENECA AB (SE) 2009-04-15 CN disclosed
CN-101400677-A Compounds ASTRAZENECA AB (SE) 2009-04-01 CN disclosed
CN-101379042-A Substituted cinnoline derivatives as GABAA receptor modulators and methods of synthesis thereof ASTRAZENECA AB (SE) 2009-03-04 CN disclosed
CN-101356167-A Chroman compounds as 5-HT1B antagon ASTRAZENECA AB (SE) 2009-01-28 CN disclosed
US-20010047097-A1 Process for the preparation of arylethylamines by amination of arylolefins AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 2001-11-29 US disclosed