SCHEMBL8878080

SCHEMBL8878080

CNS(=O)(=O)CCN1CCN(c2nc3ccccc3n3cccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 10/20 0.61
HTR3B O95264 10/20 0.61
HTR3A P46098 10/20 0.61
HTR3D Q70Z44 10/20 0.61
HTR3C Q8WXA8 10/20 0.61
HTR2C P28335 5/20 0.58
HTR1A P08908 4/20 0.58

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
SCHEMBL8569942 0.87 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563458 0.81 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8572090 0.76 HTR2C (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563750 0.74 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8878093 0.73 OPRM1 (0.40) HTR1A
SCHEMBL8569563 0.73 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8570434 0.72 HTR2C (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8878905 0.72 HTR2C (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.72 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569971 0.71 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C

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-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed