SCHEMBL8568683

SCHEMBL8568683

Clc1ccc(C(c2ccccc2)N2CCN(c3nc4ccc(Cl)cc4n4cccc34)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.66
HTR3B O95264 5/20 0.66
HTR3A P46098 5/20 0.66
HTR3D Q70Z44 5/20 0.66
HTR3C Q8WXA8 5/20 0.66
HTR1A P08908 5/20 0.66
HTR2C P28335 3/20 0.66
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.51
NTSR1 P30989 1/20 0.51
EGFR P00533 1/20 0.51
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTPN1 P18031 1/20 0.47
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46

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
SCHEMBL8565448 0.92 LMNA (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9413401 0.92 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8880404 0.88 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8572722 0.82 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7296930 0.82 HTR1A (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8881124 0.80 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2470369 0.79 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569339 0.79 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2532527 0.77 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565555 0.74 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 2 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
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 EP disclosed