SCHEMBL8564159

SCHEMBL8564159

c1ccc(N2CCN(c3nc4cccnc4n4cccc34)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 15/20 1.00
HTR3B O95264 15/20 1.00
HTR3A P46098 15/20 1.00
HTR3D Q70Z44 15/20 1.00
HTR3C Q8WXA8 15/20 1.00
HTR1A P08908 9/20 0.75
HTR2C P28335 7/20 0.75
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL8561755 0.89 HTR3E (0.80) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563997 0.87 HTR3E (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569694 0.86 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8562660 0.86 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565127 0.84 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.84 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8570428 0.83 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8564875 0.83 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565062 0.83 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566532 0.81 HTR3E (0.76) 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