SCHEMBL8563750

SCHEMBL8563750

c1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 12/20 1.00
HTR3B O95264 12/20 1.00
HTR3A P46098 12/20 1.00
HTR3D Q70Z44 12/20 1.00
HTR3C Q8WXA8 12/20 1.00
HTR2C P28335 7/20 1.00
HTR1A P08908 7/20 1.00
HPGD P15428 1/20 0.67

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
SCHEMBL8570057 0.90 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569339 0.88 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566281 0.88 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569100 0.87 HTR3E (0.82) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8564669 0.87 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565127 0.86 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565073 0.84 HTR3E (0.83) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7970011 0.84 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8570453 0.83 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7298411 0.83 HTR2C (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 8 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
JP-6340666-A None JP disclosed
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
JP-H06340666-A NEW PYRROLOPYRAZINE COMPOUND, ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT ADIR 1994-12-13 JP disclosed
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 EP disclosed