SCHEMBL8720718

SCHEMBL8720718

CCCCc1ccccc1C(=O)c1ccc2occ(C3CCN4CCCCC4C3)c2c1.CCCc1cccc(C(=O)c2ccc3[nH]cc(C4CCN5CCCC5C4)c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.35
HSD11B1 P28845 1/20 0.34
HTR1D P28221 3/20 0.32
HTR1B P28222 3/20 0.32
CCR2 P41597 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
NOS1 P29475 3/20 0.32
HTR7 P34969 1/20 0.31
NOS3 P29474 2/20 0.31
NOS2 P35228 1/20 0.31
HTR1A P08908 1/20 0.31
MBTD1 Q05BQ5 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8383378 0.88 DRD2 (0.37) SLC6A4DRD2HTR2ADRD3MBTD1
SCHEMBL8386604 0.84 SLC6A4 (0.46) SLC6A4HSD11B1HTR1DHTR1BNOS1
SCHEMBL30908881 0.84 SLC6A4 (0.46) SLC6A4HSD11B1HTR1DHTR1BNOS1
SCHEMBL8724233 0.78 SLC6A4 (0.43) SLC6A4HSD11B1HTR1DHTR1BHTR1A
SCHEMBL8721914 0.78 SLC6A4 (0.39) SLC6A4HSD11B1HTR1BHTR1A
SCHEMBL30909176 0.75 DRD2 (0.38) SLC6A4DRD2HTR2ADRD3L3MBTL3
SCHEMBL8383620 0.75 DRD2 (0.38) SLC6A4DRD2HTR2ADRD3L3MBTL3
SCHEMBL8383095 0.74 GAA (0.40) DRD2HTR2ADRD3
SCHEMBL8386464 0.74 HTR1D (0.53) HTR1DHTR1BDRD2HTR1A
SCHEMBL30909175 0.74 HTR1D (0.53) HTR1DHTR1BDRD2HTR1A

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