SCHEMBL8962967

SCHEMBL8962967

Cc1[nH]cnc1CCC(=O)c1c(O)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
ADORA2A P29274 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABRR1 P24046 1/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
IDO1 P14902 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.37
CYP1A1 P04798 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
Maleic Acid SCHEMBL9657638 0.94 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL9657647 0.94 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9656084 0.85 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL9657354 0.83 HTR3A (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL9657361 0.83 HTR3A (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9657640 0.82 HTR3A (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8962689 0.81 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
Succinic Acid SCHEMBL9656150 0.78 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9657326 0.76 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7316844 0.75 HTR3A (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530008-A USEFUL FOR TREATING ANXIETY DISORDER AND AGORAPHOBIA SANDOZ LTD. (CH) 1996-06-25 US claimed
EP-0422154-B1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (AT) 1993-12-01 EP claimed
EP-0291172-B1 KETONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-19 EP claimed
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 US claimed
EP-0422154-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS. SANDOZ AG (AT) 1991-04-17 EP claimed
WO-1990012569-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (CH) 1990-11-01 WO claimed
EP-0291172-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1988-11-17 EP claimed
US-5530008-A USEFUL FOR TREATING ANXIETY DISORDER AND AGORAPHOBIA SANDOZ LTD. (CH) 1996-06-25 US disclosed
EP-0422154-B1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (AT) 1993-12-01 EP disclosed
EP-0291172-B1 KETONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
US-5084474-A Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole GLAXO GROUP LIMITED (GB) 1992-01-28 US disclosed
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 US disclosed
EP-0422154-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS. SANDOZ AG (AT) 1991-04-17 EP disclosed
WO-1990012569-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (CH) 1990-11-01 WO disclosed
US-4918080-A ANXIOLYTIC AGENTS, ANTIEMETICS GLAXO GROUP LIMITED (GB) 1990-04-17 US disclosed
EP-0291172-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1988-11-17 EP disclosed