SCHEMBL8720715

SCHEMBL8720715

CC(C)Oc1ccccc1NC(=S)Nc1ccc2[nH]cc(C3CCC4CCCCN4CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.43
HTR1B P28222 14/20 0.43
HTR1A P08908 3/20 0.43
HTR1F P30939 2/20 0.43
SLC6A4 P31645 1/20 0.41
RORC P51449 1/20 0.39

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
SCHEMBL8381711 0.94 SLC6A4 (0.45) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8722085 0.91 HTR1A (0.51) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL7481219 0.85 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383598 0.85 SLC6A4 (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL7489507 0.85 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8387183 0.84 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8724293 0.83 HTR6 (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
Fumaric Acid SCHEMBL8382079 0.82 HTR1D (0.41) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8722115 0.80 SLC6A4 (0.50) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8725963 0.80 HTR1D (0.44) 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