SCHEMBL8387309

SCHEMBL8387309

Cc1ccccc1NC(=O)Nc1ccc2[nH]cc(C3CCN4CCCC4C3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.50
HTR1B P28222 11/20 0.50
HTR1A P08908 2/20 0.50
HTR1F P30939 2/20 0.50
SLC6A4 P31645 3/20 0.46
HSD11B1 P28845 1/20 0.45
STING1 Q86WV6 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
IMPDH2 P12268 1/20 0.42

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
SCHEMBL8385338 0.87 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8713578 0.86 SLC6A4 (0.52) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8385368 0.86 HTR1D (0.56) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383522 0.85 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8387074 0.85 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383502 0.85 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8383600 0.85 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8387496 0.85 MAPK1 (0.48) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8387183 0.84 HTR1D (0.45) 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 2 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