SCHEMBL8566281

SCHEMBL8566281

Clc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 16/20 1.00
HTR3B O95264 16/20 1.00
HTR3A P46098 16/20 1.00
HTR3D Q70Z44 16/20 1.00
HTR3C Q8WXA8 16/20 1.00
HTR2C P28335 7/20 1.00
HTR1A P08908 11/20 0.83

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
SCHEMBL8569339 0.91 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8571686 0.90 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563750 0.88 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569100 0.88 HTR3E (0.82) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566345 0.87 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565092 0.86 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566070 0.85 HTR1A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565073 0.85 HTR3E (0.83) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563992 0.84 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8570948 0.83 HTR3E (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

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