SCHEMBL8722115

SCHEMBL8722115

Fc1ccc(NC(=S)Nc2ccc3[nH]cc(C4CCC5CCCCN5CC4)c3c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
HTR1D P28221 17/20 0.48
HTR1B P28222 14/20 0.48
HTR1A P08908 2/20 0.48
HTR1F P30939 2/20 0.48
APP P05067 1/20 0.47
CHRM2 P08172 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL8721182 0.89 SLC6A4 (0.48) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8724293 0.86 HTR6 (0.49) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL30909306 0.84 HTR1D (0.50) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8385370 0.83 SLC6A4 (0.55) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8724022 0.83 HTR1D (0.48) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8725963 0.83 HTR1D (0.44) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8722085 0.82 HTR1A (0.51) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8709412 0.81 SLC6A4 (0.52) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8387269 0.80 SLC6A4 (0.49) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383499 0.80 SLC6A4 (0.51) SLC6A4HTR1DHTR1BHTR1AHTR1F

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