SCHEMBL8569998

SCHEMBL8569998

Fc1ccc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 1.00
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 9/20 1.00

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
SCHEMBL8565127 0.90 HTR3E (1.00) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8563741 0.87 HTR3E (0.77) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8878952 0.87 HTR3E (0.77) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8570057 0.85 HTR3E (1.00) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8570048 0.82 HTR1A (1.00) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8564383 0.82 HTR1A (1.00) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8565934 0.82 HTR3E (1.00) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8566532 0.80 HTR3E (0.76) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8879665 0.80 HTR3E (1.00) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8567602 0.79 HTR1A (1.00) HTR1AHTR3EHTR3BHTR3AHTR3D

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