SCHEMBL8724022

SCHEMBL8724022

CCOc1ccc(NC(=S)Nc2ccc3[nH]cc(C4CCC5CCCCN5CC4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.48
HTR1B P28222 11/20 0.48
HTR1A P08908 2/20 0.46
HTR1F P30939 2/20 0.46
MAPT P10636 1/20 0.42
SLC6A4 P31645 2/20 0.42

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
SCHEMBL30909306 0.85 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8382133 0.85 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8724293 0.84 HTR6 (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8722115 0.83 SLC6A4 (0.50) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8722085 0.82 HTR1A (0.51) HTR1DHTR1BHTR1AHTR1FMAPT
SCHEMBL7481902 0.81 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FMAPT
SCHEMBL8721066 0.80 HTR1D (0.55) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8721049 0.80 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8720715 0.80 HTR1D (0.43) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8721855 0.80 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed