SCHEMBL7130853

SCHEMBL7130853

CCOCCN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CCCC(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.48
DRD2 P14416 10/20 0.48
HTR2A P28223 9/20 0.48
HTR7 P34969 9/20 0.48
HTR6 P50406 9/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
AVPR1A P37288 1/20 0.43
DRD3 P35462 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
SCHEMBL7128175 0.95 MEN1 (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7130889 0.92 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7127400 0.90 MEN1 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7118989 0.90 MEN1 (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7129610 0.90 MEN1 (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7128407 0.89 MEN1 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7120109 0.89 MEN1 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7123650 0.89 HTR1A (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7121947 0.89 HTR7 (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7122951 0.87 MEN1 (0.54) HTR1ADRD2HTR2AHTR7HTR6

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
US-6667303-B1 Agonists for serotonin 5-hydroxytryptamine 2C(5HT2C) receptor; 6-(1,4-diazepan-1-yl)benzo(cd)indol-2(1H)-ones, 6-(1,4-diazepan-1-yl)acenaphthylen-1(2H)-ones, and 5-(1,4-diazepan-1-yl)- 2H-naphtho(1,8-cd)isothiazole-1,1-dioxides WYETH 2003-12-23 US claimed