SCHEMBL7120725

SCHEMBL7120725

O=C1c2cccc3c(N4CCCN(CCc5ccccc5)CC4)ccc(c23)N1CCCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.48
HTR1A P08908 5/20 0.48
DRD2 P14416 5/20 0.48
HTR2A P28223 5/20 0.48
HTR6 P50406 5/20 0.48
ADRA1D P25100 6/20 0.46
ADRA1A P35348 6/20 0.46
ADRA1B P35368 6/20 0.46
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
AVPR1A P37288 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1B1 Q16678 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
SCHEMBL7124502 0.96 HTR1A (0.49) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7124491 0.95 ADRA1D (0.48) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7128623 0.93 MEN1 (0.46) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7120922 0.92 HTR7 (0.47) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7130889 0.92 HTR1A (0.53) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7127734 0.91 HTR1A (0.48) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7121947 0.91 HTR7 (0.50) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7123695 0.90 MEN1 (0.52) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7123650 0.89 HTR1A (0.50) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7130467 0.88 MEN1 (0.54) HTR7HTR1ADRD2HTR2AHTR6

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-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
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 disclosed