SCHEMBL7119880

SCHEMBL7119880

O=C(O)CN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CCCC(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
AVPR1A P37288 1/20 0.48
BRD4 O60885 2/20 0.46
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTR7 P34969 8/20 0.44
HTR1A P08908 7/20 0.44
DRD2 P14416 7/20 0.44
HTR2A P28223 7/20 0.44
HTR6 P50406 7/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7129404 0.94 MEN1 (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7130889 0.91 HTR1A (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7121947 0.90 HTR7 (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7120109 0.88 MEN1 (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7128308 0.88 KMT2A (0.55) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7123650 0.88 HTR1A (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7120922 0.87 HTR7 (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7129610 0.87 MEN1 (0.57) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7120725 0.86 HTR7 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7124502 0.86 HTR1A (0.49) MEN1KMT2ARAB9ANPC1MAPT

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