SCHEMBL8570289

SCHEMBL8570289

COc1ccc2c(c1)nc(N1CCN(c3ccccc3)CC1)c1cccn12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 10/20 0.65
HTR3B O95264 10/20 0.65
HTR3A P46098 10/20 0.65
HTR3D Q70Z44 10/20 0.65
HTR3C Q8WXA8 10/20 0.65
HTR1A P08908 4/20 0.65
HTR2C P28335 4/20 0.62
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR1D P28221 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAD51 Q06609 2/20 0.51

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
SCHEMBL8570795 0.88 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565073 0.86 HTR3E (0.83) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.82 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565092 0.82 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565546 0.79 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8571297 0.78 HTR1A (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8880167 0.78 HTR1A (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7302481 0.75 HTR1A (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796403 0.74 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7400933 0.73 RAD51 (0.61) 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