SCHEMBL8963150

SCHEMBL8963150

Cc1[nH]cnc1CCC(=O)c1cccc2c1ccn2C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.74
HTR3E A5X5Y0 3/20 0.74
HTR3B O95264 3/20 0.74
HTR3D Q70Z44 3/20 0.74
HTR3C Q8WXA8 3/20 0.74
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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 SCHEMBL9655791 0.94 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL9655781 0.94 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29399763 0.85 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4155303 0.85 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7277547 0.80 HTR3A (0.85) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7324754 0.80 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7324761 0.80 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8962689 0.80 HTR3E (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7286830 0.76 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
Succinic Acid SCHEMBL9656150 0.76 HTR3E (0.59) 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 13 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-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
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