SCHEMBL8720833

SCHEMBL8720833

CC(C)Oc1ccc(NC(=O)Nc2ccc3[nH]cc(C4CCC5CCCCN5CC4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.51
HTR1B P28222 17/20 0.51
HTR1A P08908 2/20 0.51
HTR1F P30939 2/20 0.51
CHRM2 P08172 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL7484230 0.83 HTR1D (0.55) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8723889 0.83 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8721049 0.83 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909067 0.83 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8721017 0.83 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8387183 0.81 HTR1D (0.45) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8382133 0.81 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8723870 0.81 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8720667 0.81 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8724231 0.80 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1F

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