SCHEMBL8962676

SCHEMBL8962676

COc1ccc(C(=O)CCc2nc[nH]c2C)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.59
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
STAT6 P42226 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGDS O60760 1/20 0.52
PLK1 P53350 1/20 0.44
CDC25B P30305 1/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.40

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
Fumaric Acid SCHEMBL9656077 0.94 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL9656070 0.94 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9775826 0.85 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9656084 0.82 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8962689 0.81 HTR3E (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL9656683 0.80 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL9656680 0.80 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
Succinic Acid SCHEMBL9656150 0.77 HTR3E (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL9657367 0.76 HTR3E (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL9657363 0.76 HTR3E (0.55) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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