SCHEMBL8570476

SCHEMBL8570476

c1ccc(C2CCN(c3nc4ccccc4n4cccc34)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 8/20 0.63
HTR3B O95264 8/20 0.63
HTR3A P46098 8/20 0.63
HTR3D Q70Z44 8/20 0.63
HTR3C Q8WXA8 8/20 0.63
HTR2C P28335 4/20 0.60
HTR1A P08908 3/20 0.60
LMNA P02545 5/20 0.54
TP53 P04637 5/20 0.54
MAPT P10636 4/20 0.54
THRB P10828 1/20 0.54
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
GRM2 Q14416 1/20 0.47

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
SCHEMBL8569213 0.87 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569161 0.87 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565062 0.85 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7297168 0.83 HTR1A (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7303964 0.81 HTR1A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569563 0.81 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.80 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569971 0.80 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8571231 0.77 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8568649 0.77 HTR3E (0.69) 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