SCHEMBL8567429

SCHEMBL8567429

CCOC(=O)N1CCN(c2nc3ccccc3n3cccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.75
HTR3B O95264 5/20 0.75
HTR3A P46098 5/20 0.75
HTR3D Q70Z44 5/20 0.75
HTR3C Q8WXA8 5/20 0.75
HTR1A P08908 4/20 0.72
HTR2C P28335 3/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8571641 0.87 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566903 0.86 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7295524 0.84 HTR1A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7296996 0.81 HTR1A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7429437 0.78 KMT2A (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563458 0.77 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796402 0.76 TP53 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8878868 0.76 HTR2C (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569563 0.75 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.74 HTR3E (0.74) 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