SCHEMBL8565555

SCHEMBL8565555

Clc1ccc(N2CCN(c3nc4ccccc4n4cccc34)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 7/20 0.67
HTR3B O95264 7/20 0.67
HTR3A P46098 7/20 0.67
HTR3D Q70Z44 7/20 0.67
HTR3C Q8WXA8 7/20 0.67
HTR2C P28335 5/20 0.63
HTR1A P08908 5/20 0.63
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
TP53 P04637 2/20 0.59
THRB P10828 1/20 0.59
RAD51 Q06609 1/20 0.53
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
DRD4 P21917 1/20 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
SCHEMBL8567791 0.89 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566718 0.86 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565092 0.86 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796403 0.85 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8561755 0.84 HTR3E (0.80) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796395 0.83 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796402 0.82 TP53 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565448 0.82 LMNA (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7303793 0.81 HTR1A (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569563 0.81 HTR3E (0.75) 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