SCHEMBL7124502

SCHEMBL7124502

O=C1c2cccc3c(N4CCCN(CCCc5ccccc5)CC4)ccc(c23)N1CCCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.49
HTR7 P34969 8/20 0.49
DRD2 P14416 7/20 0.49
HTR2A P28223 7/20 0.49
HTR6 P50406 7/20 0.49
CYP1B1 Q16678 2/20 0.46
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
AVPR1A P37288 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7127734 0.96 HTR1A (0.48) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7120725 0.96 HTR7 (0.48) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7130889 0.93 HTR1A (0.53) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7120922 0.91 HTR7 (0.47) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7124491 0.90 ADRA1D (0.48) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7128623 0.90 MEN1 (0.46) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7119987 0.90 HTR7 (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7123650 0.90 HTR1A (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7121947 0.90 HTR7 (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7123866 0.88 MEN1 (0.53) HTR1AHTR7DRD2HTR2AHTR6

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