SCHEMBL7277547

SCHEMBL7277547

[3H]C([3H])([3H])n1cc(C(=O)CCc2nc[nH]c2C)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.85
HTR3E A5X5Y0 3/20 0.85
HTR3B O95264 3/20 0.85
HTR3D Q70Z44 3/20 0.85
HTR3C Q8WXA8 3/20 0.85
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADRA2C P18825 2/20 0.39
HTR2B P41595 2/20 0.39
KCNH2 Q12809 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRK1 P41145 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL29399763 0.92 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4155303 0.92 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7324754 0.86 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7324761 0.86 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8963150 0.80 HTR3A (0.74) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7316274 0.79 HTR3A (0.76) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7286830 0.79 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7326640 0.78 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7326639 0.78 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7325601 0.77 HTR3E (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
EP-0385722-B1 Tricyclic lactam derivatives and pharmaceutical compositions containing them GLAXO GROUP LTD (GB) 1995-04-19 EP disclosed
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1994-09-21 EP disclosed
EP-0345956-B1 Tricyclic ketones GLAXO GROUP LTD (GB) 1994-03-16 EP disclosed
EP-0581388-A1 Pyridoindolone Methansulphonate as 5HT and 5HT3 receptor antagonists GLAXO GROUP LIMITED (GB) 1994-02-02 EP disclosed
EP-0403261-A2 Amide derivatives GLAXO GROUP LIMITED (GB) 1990-12-19 EP disclosed
EP-0357415-A2 Use of serotonin antagonists in the treatment of cognitive disorders GLAXO GROUP LIMITED (GB) 1990-03-07 EP disclosed
EP-0347229-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-12-20 EP disclosed
EP-0317088-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1989-05-24 EP disclosed