SCHEMBL7130889

SCHEMBL7130889

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.53
HTR7 P34969 10/20 0.53
DRD2 P14416 9/20 0.53
HTR2A P28223 9/20 0.53
HTR6 P50406 9/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
AVPR1A P37288 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7123650 0.97 HTR1A (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7121947 0.97 HTR7 (0.50) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7127400 0.94 MEN1 (0.53) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7129610 0.94 MEN1 (0.57) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7128407 0.93 MEN1 (0.53) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7120109 0.93 MEN1 (0.53) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7124502 0.93 HTR1A (0.49) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7119932 0.93 HTR1A (0.47) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7130853 0.92 HTR1A (0.48) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7131429 0.92 MEN1 (0.52) 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 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