SCHEMBL7120426

SCHEMBL7120426

CCCCN1C(=O)c2cccc3c(N4CCCN(CCC)CC4)ccc1c23

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
RAB9A P51151 2/20 0.64
MAPK1 P28482 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
BRD4 O60885 2/20 0.53
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
AVPR1A P37288 1/20 0.52
HTR1A P08908 8/20 0.49
HTR7 P34969 6/20 0.49
DRD2 P14416 5/20 0.49
HTR2A P28223 5/20 0.49
HTR6 P50406 5/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7126175 0.95 MEN1 (0.59) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7123937 0.92 KMT2A (0.60) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7131407 0.91 MEN1 (0.66) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7124621 0.91 MEN1 (0.55) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7129610 0.90 MEN1 (0.57) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7118989 0.90 MEN1 (0.54) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7130467 0.90 MEN1 (0.54) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7123166 0.90 MEN1 (0.56) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7123866 0.89 MEN1 (0.53) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7129227 0.89 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