SCHEMBL8565130

SCHEMBL8565130

Clc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 10/20 0.76
HTR3B O95264 10/20 0.76
HTR3A P46098 10/20 0.76
HTR3D Q70Z44 10/20 0.76
HTR3C Q8WXA8 10/20 0.76
HTR1A P08908 9/20 0.76
HTR2C P28335 7/20 0.73

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
SCHEMBL8566345 0.94 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8879175 0.89 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8879665 0.87 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7299984 0.85 HTR1A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7300287 0.83 HTR1A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566281 0.82 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569339 0.82 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8564669 0.81 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563750 0.81 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565555 0.78 HTR3E (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623620-B1 5-HT3 Pyrrolopyrazine derivatives ADIR (FR) 1998-09-09 EP disclosed
US-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 EP disclosed