SCHEMBL8569563

SCHEMBL8569563

c1ccc2c(c1)nc(N1CCCC1)c1cccn12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 8/20 0.75
HTR3B O95264 8/20 0.75
HTR3A P46098 8/20 0.75
HTR3D Q70Z44 8/20 0.75
HTR3C Q8WXA8 8/20 0.75
HTR1A P08908 3/20 0.66
HTR2C P28335 3/20 0.66
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
GFER P55789 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53

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
SCHEMBL8569971 0.98 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8564852 0.87 HTR2C (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8568649 0.86 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.86 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8571231 0.86 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8572446 0.83 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796403 0.82 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796408 0.82 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566718 0.81 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567570 0.81 HTR3E (0.67) 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