SCHEMBL7121956

SCHEMBL7121956

CC(C)CN1C(=O)c2cccc3c(N4CCCN(Cc5ccccc5)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
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46
AVPR1A P37288 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
CYP1B1 Q16678 1/20 0.42
RGS12 O14924 1/20 0.42
USP2 O75604 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 0.90 MEN1 (0.49) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7121196 0.89 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7130665 0.89 MEN1 (0.48) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7128661 0.87 MEN1 (0.49) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7132382 0.87 MEN1 (0.49) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7130900 0.86 BRD4 (0.48) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7125588 0.86 MEN1 (0.61) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7128611 0.84 MEN1 (0.56) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7124588 0.84 BRD1 (0.54) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7128624 0.84 MEN1 (0.61) MEN1KMT2AL3MBTL1RAB9AMAPK1

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