SCHEMBL7265491

SCHEMBL7265491

Cc1[nH]cnc1CC(=O)C(OC(=O)/C=C\C(=O)OC(C(=O)Cc1nc[nH]c1C)c1cn(C)c2c(C)cccc12)c1cn(C)c2c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
GABRR1 P24046 1/20 0.37
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
TRPM5 Q9NZQ8 1/20 0.30

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
SCHEMBL7272916 0.81 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7274925 0.81 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7297785 0.80 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7272061 0.74 HTR3A (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7265485 0.74 GABRR1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7265493 0.74 GABRR1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7286830 0.72 HTR3A (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7265488 0.71 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9656646 0.71 GABRR1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7273229 0.65 KDM4E (0.36) HTR3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276163-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-07-15 EP disclosed
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed
EP-0276163-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-07-27 EP disclosed