SCHEMBL8713966

SCHEMBL8713966

NC(=O)Nc1ccc2[nH]cc(C3CCN4CCCC4C3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.55
HTR1B P28222 15/20 0.55
HTR1A P08908 2/20 0.55
HTR1F P30939 2/20 0.55
SLC6A4 P31645 3/20 0.53
CHRM2 P08172 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL8385368 0.88 HTR1D (0.56) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8708176 0.87 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8387190 0.86 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8385502 0.85 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8713578 0.84 SLC6A4 (0.52) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383571 0.84 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL6997701 0.84 HTR1D (0.57) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8386450 0.84 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383607 0.84 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8382039 0.84 HTR1D (0.52) 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
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed