SCHEMBL8724233

SCHEMBL8724233

O=C(c1ccc2[nH]cc(C3CCN4CCCC4C3)c2c1)c1ccccc1F.O=C(c1ccc2occ(C3CCN4CCCCC4C3)c2c1)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.43
HSD11B1 P28845 4/20 0.40
HRH3 Q9Y5N1 1/20 0.35
HTR1D P28221 5/20 0.34
HTR1B P28222 3/20 0.34
HTR1A P08908 1/20 0.34
HTR1F P30939 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30909036 0.89 L3MBTL3 (0.41) L3MBTL3L3MBTL1HTT
SCHEMBL8382076 0.89 L3MBTL3 (0.41) L3MBTL3L3MBTL1HTT
SCHEMBL8387312 0.86 SLC6A4 (0.54) SLC6A4HSD11B1HTR1DHTR1BHTR1A
SCHEMBL8721914 0.81 SLC6A4 (0.39) SLC6A4HSD11B1HTR1BHTR1AHTR1F
SCHEMBL8720718 0.78 SLC6A4 (0.35) SLC6A4HSD11B1HTR1DHTR1BHTR1A
SCHEMBL8383095 0.78 GAA (0.40)
Hydrochloric Acid SCHEMBL8712050 0.77 HTR1D (0.48) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL30909171 0.77 CHRM2 (0.40) L3MBTL1HTTMEN1KMT2A
SCHEMBL8381574 0.77 CHRM2 (0.40) L3MBTL1HTTMEN1KMT2A
SCHEMBL8383541 0.74 HTR1D (0.48) SLC6A4HTR1DHTR1BHTR1AHTR1F

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