SCHEMBL7286830

SCHEMBL7286830

Cc1[nH]cnc1CCC(=O)c1cn(C)c2c(C)cccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.72
HTR3E A5X5Y0 2/20 0.72
HTR3B O95264 2/20 0.72
HTR3D Q70Z44 2/20 0.72
HTR3C Q8WXA8 2/20 0.72
GABRR1 P24046 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
CDK2 P24941 1/20 0.34
LMNA P02545 2/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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 SCHEMBL7265488 0.94 HTR3E (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4155303 0.84 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29399763 0.84 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7299112 0.79 HTR3E (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7277547 0.79 HTR3A (0.85) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7324761 0.79 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7324754 0.79 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8963150 0.76 HTR3A (0.74) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7272061 0.76 HTR3A (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8962689 0.76 HTR3E (0.64) 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 9 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-0276163-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-07-15 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
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-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