SCHEMBL8568649

SCHEMBL8568649

c1ccc2c(c1)nc(N1CCOCC1)c1cccn12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.69
HTR3B O95264 6/20 0.69
HTR3A P46098 6/20 0.69
HTR3D Q70Z44 6/20 0.69
HTR3C Q8WXA8 6/20 0.69
HTR1A P08908 3/20 0.65
HTR2C P28335 3/20 0.65
RAD51 Q06609 1/20 0.65
POLB P06746 2/20 0.63
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.55
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 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
SCHEMBL8569563 0.86 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.85 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569971 0.84 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569694 0.82 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8571231 0.82 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7970020 0.81 POLB (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796403 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565555 0.80 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566718 0.80 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8110805 0.80 HTR3E (0.72) 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