SCHEMBL9775826

SCHEMBL9775826

Cc1[nH]cnc1CCC(=O)c1ccc(C)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.64
HTR3E A5X5Y0 2/20 0.64
HTR3B O95264 2/20 0.64
HTR3D Q70Z44 2/20 0.64
HTR3C Q8WXA8 2/20 0.64
GABRR1 P24046 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
FDPS P14324 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
STAT6 P42226 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8962676 0.85 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8962689 0.85 HTR3E (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
Succinic Acid SCHEMBL9656150 0.81 HTR3E (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL9656070 0.80 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL9656077 0.80 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8962511 0.79 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29399763 0.78 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4155303 0.78 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL9657363 0.77 HTR3E (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL9657367 0.77 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 US disclosed