SCHEMBL7130900

SCHEMBL7130900

CC(C)CN1C(=O)c2cccc3c(N4CCCN(CC(=O)O)CC4)ccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
AVPR1A P37288 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
LMNA P02545 4/20 0.41
USP2 O75604 4/20 0.41
HTT P42858 3/20 0.41
TLR9 Q9NR96 2/20 0.41

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
SCHEMBL7123153 0.90 MEN1 (0.49) BRD4MEN1KMT2AL3MBTL1MAPT
SCHEMBL7131297 0.89 KMT2A (0.54) BRD4MEN1KMT2AL3MBTL1MAPT
SCHEMBL7121956 0.86 MEN1 (0.48) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL7125588 0.86 MEN1 (0.61) BRD4MEN1KMT2AL3MBTL1MAPT
SCHEMBL7128308 0.85 KMT2A (0.55) BRD4MEN1KMT2AL3MBTL1MAPT
SCHEMBL7121906 0.85 MEN1 (0.49) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL7128611 0.84 MEN1 (0.56) BRD4MEN1KMT2AL3MBTL1MAPT
SCHEMBL7128624 0.84 MEN1 (0.61) BRD4MEN1KMT2AL3MBTL1MAPT
SCHEMBL7124588 0.84 BRD1 (0.54) BRD4MEN1KMT2AL3MBTL1MAPT
SCHEMBL7128117 0.84 MEN1 (0.55) BRD4MEN1KMT2AL3MBTL1MAPT

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