SCHEMBL8385368

SCHEMBL8385368

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.56
HTR1B P28222 14/20 0.56
HTR1A P08908 2/20 0.56
HTR1F P30939 2/20 0.56
SLC6A4 P31645 3/20 0.51
APP P05067 1/20 0.45
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
SCHEMBL8708176 0.89 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8387190 0.88 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8713966 0.88 HTR1D (0.55) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8713578 0.86 SLC6A4 (0.52) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8387309 0.86 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8386450 0.86 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8381458 0.85 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8382853 0.85 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383600 0.85 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8386488 0.85 HTR1D (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed