SCHEMBL8962689

SCHEMBL8962689

Cc1[nH]cnc1CCC(=O)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.64
HTR3B O95264 2/20 0.64
HTR3A P46098 2/20 0.64
HTR3D Q70Z44 2/20 0.64
HTR3C Q8WXA8 2/20 0.64
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
GMNN O75496 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CMKLR1 Q99788 2/20 0.50

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
Succinic Acid SCHEMBL9656150 0.95 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9775826 0.85 HTR3A (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8962967 0.81 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL9655730 0.81 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL9655732 0.81 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8962676 0.81 HTR3A (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8963150 0.80 HTR3A (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL9655892 0.79 HTR3A (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL9655885 0.79 HTR3A (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8962511 0.79 HTR3A (0.60) 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