SCHEMBL7130665

SCHEMBL7130665

CC(C)CN1C(=O)c2cccc3c(N4CCCN(CCCc5ccccc5)CC4)ccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1B1 Q16678 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
AVPR1A P37288 1/20 0.45
HTR1A P08908 5/20 0.45
HTR7 P34969 3/20 0.44
DRD2 P14416 3/20 0.43
HTR2A P28223 2/20 0.43
HTR6 P50406 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 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
SCHEMBL7121906 0.94 MEN1 (0.49) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7129514 0.92 MEN1 (0.47) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7131215 0.90 MEN1 (0.53) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7119987 0.90 HTR7 (0.50) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7132382 0.89 MEN1 (0.49) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7121956 0.89 MEN1 (0.48) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7128611 0.89 MEN1 (0.56) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7123866 0.88 MEN1 (0.53) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7125588 0.87 MEN1 (0.61) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7127407 0.86 MEN1 (0.48) 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