SCHEMBL7316844

SCHEMBL7316844

Cc1[nH]cnc1CCC(=O)c1c(C)n(C)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.65
HTR3E A5X5Y0 2/20 0.65
HTR3B O95264 2/20 0.65
HTR3D Q70Z44 2/20 0.65
HTR3C Q8WXA8 2/20 0.65
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2C P18825 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CASP6 P55212 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
OXER1 Q8TDS5 1/20 0.39

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 SCHEMBL7319879 0.94 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7319887 0.94 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7325712 0.82 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7325703 0.82 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4155303 0.79 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29399763 0.79 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7294827 0.79 HTR3A (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7277547 0.76 HTR3A (0.85) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9657326 0.75 HTR3E (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8962967 0.75 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 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-0242973-B1 INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1991-07-17 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-0242973-A1 Indole derivatives, method for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-10-28 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-0242973-B1 INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1991-07-17 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
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed
EP-0242973-A1 Indole derivatives, method for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-10-28 EP disclosed