SCHEMBL8570453

SCHEMBL8570453

c1ccc(CN2CCN(c3ccc4nc(N5CCN(Cc6ccccc6)CC5)c5cccn5c4n3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 17/20 1.00
HTR3B O95264 17/20 1.00
HTR3A P46098 17/20 1.00
HTR3D Q70Z44 17/20 1.00
HTR3C Q8WXA8 17/20 1.00
HTR1A P08908 12/20 0.74
HTR2C P28335 9/20 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
SCHEMBL8565028 0.85 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565127 0.84 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563543 0.84 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563750 0.83 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569339 0.80 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8564408 0.79 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566281 0.77 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7298411 0.77 HTR2C (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569100 0.76 HTR3E (0.82) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565934 0.76 HTR3E (1.00) 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