SCHEMBL8565546

SCHEMBL8565546

COc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 14/20 1.00
HTR3B O95264 14/20 1.00
HTR3A P46098 14/20 1.00
HTR3D Q70Z44 14/20 1.00
HTR3C Q8WXA8 14/20 1.00
HTR1A P08908 10/20 1.00
HTR2C P28335 6/20 0.72

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
SCHEMBL8565073 0.91 HTR3E (0.83) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8880167 0.89 HTR1A (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567127 0.87 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8571686 0.86 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8570057 0.84 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8570795 0.81 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565934 0.80 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565010 0.80 HTR3E (0.84) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8570289 0.79 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569100 0.77 HTR3E (0.82) 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