SCHEMBL8723893

SCHEMBL8723893

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.49
HTR1B P28222 11/20 0.49
HTR1A P08908 3/20 0.49
HTR1F P30939 2/20 0.49
RORC P51449 1/20 0.46
HTR6 P50406 2/20 0.44
SLC6A4 P31645 2/20 0.43

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
SCHEMBL30909155 1.00 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8381537 0.93 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8720670 0.93 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8382857 0.91 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL7489592 0.86 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8721064 0.86 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8721860 0.85 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL7489363 0.85 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL30908936 0.85 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8721021 0.83 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FRORC

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