SCHEMBL7123166

SCHEMBL7123166

CCCCN1C(=O)c2cccc3c(N4CCCN(CC(C)C)CC4)ccc1c23

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 3/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
AVPR1A P37288 1/20 0.48
BRD4 O60885 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HTR1A P08908 7/20 0.44
HTR7 P34969 5/20 0.44
DRD2 P14416 4/20 0.44
HTR2A P28223 4/20 0.44
HTR6 P50406 4/20 0.44
RGS12 O14924 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 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
SCHEMBL7128611 0.92 MEN1 (0.56) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7124621 0.91 MEN1 (0.55) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7119849 0.90 MEN1 (0.53) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7128117 0.90 MEN1 (0.55) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7120426 0.90 MEN1 (0.64) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7124485 0.89 MEN1 (0.55) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7126175 0.89 MEN1 (0.59) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7130705 0.89 MEN1 (0.48) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7125588 0.88 MEN1 (0.61) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7132382 0.87 MEN1 (0.49) MEN1KMT2AMAPK1RAB9AL3MBTL1

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