SCHEMBL8724294

SCHEMBL8724294

S=C(Nc1ccc2[nH]cc(C3CCC4CCCCN4CC3)c2c1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.46
HTR1B P28222 11/20 0.46
HTR1A P08908 2/20 0.46
HTR1F P30939 2/20 0.46
SLC6A4 P31645 3/20 0.44
RORC P51449 1/20 0.41
APP P05067 1/20 0.41
HTR6 P50406 2/20 0.41

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
SCHEMBL7479253 0.85 HTR1D (0.64) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL8724293 0.85 HTR6 (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8721064 0.83 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8723893 0.82 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL30909155 0.82 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8720670 0.80 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL30909122 0.80 SLC6A4 (0.43) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8721860 0.80 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8381712 0.80 SLC6A4 (0.43) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8722115 0.80 SLC6A4 (0.50) HTR1DHTR1BHTR1AHTR1FSLC6A4

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