SCHEMBL7119856

SCHEMBL7119856

CC(C)CCN1C(=O)c2cccc3c(N4CCCN(CCc5ccccc5)CC4)ccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
AVPR1A P37288 1/20 0.46
ADRA1D P25100 8/20 0.46
ADRA1A P35348 8/20 0.46
ADRA1B P35368 8/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TLR9 Q9NR96 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1B1 Q16678 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL7132420 0.96 MEN1 (0.48) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7129514 0.95 MEN1 (0.47) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7121906 0.92 MEN1 (0.49) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7123695 0.91 MEN1 (0.52) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7127386 0.91 MEN1 (0.55) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7132382 0.90 MEN1 (0.49) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7119840 0.89 MEN1 (0.54) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7130467 0.88 MEN1 (0.54) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7130433 0.88 MEN1 (0.59) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7119849 0.88 MEN1 (0.53) MEN1KMT2ARAB9AMAPK1L3MBTL1

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