SCHEMBL7129404

SCHEMBL7129404

O=C(O)CN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CCC(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
AVPR1A P37288 1/20 0.49
BRD4 O60885 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 4/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR6 P50406 3/20 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
SCHEMBL7119880 0.94 MEN1 (0.48) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7131429 0.90 MEN1 (0.52) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7123650 0.87 HTR1A (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7132494 0.87 MEN1 (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7124491 0.86 ADRA1D (0.48) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7131289 0.86 MEN1 (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7128308 0.86 KMT2A (0.55) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7121947 0.85 HTR7 (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7131297 0.85 KMT2A (0.54) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7121225 0.85 BRD1 (0.52) MEN1KMT2AMAPTRAB9ANPC1

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