SCHEMBL7121196

SCHEMBL7121196

CCN1C(=O)c2cccc3c(N4CCCN(Cc5ccccc5)CC4)ccc1c23

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 2/20 0.54
MAPK1 P28482 2/20 0.54
BRD4 O60885 8/20 0.51
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
APAF1 O14727 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
NPC1 O15118 1/20 0.48
AVPR1A P37288 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL7119840 0.90 MEN1 (0.54) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7120804 0.89 MEN1 (0.60) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7121956 0.89 MEN1 (0.48) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7131215 0.88 MEN1 (0.53) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7131212 0.86 UTS2R (0.52) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7124526 0.86 CYP1B1 (0.48) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7131407 0.86 MEN1 (0.66) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7118990 0.86 MEN1 (0.52) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7131297 0.85 KMT2A (0.54) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL7128117 0.84 MEN1 (0.55) L3MBTL1MEN1KMT2ARAB9AMAPK1

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