SCHEMBL7128308

SCHEMBL7128308

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPK1 P28482 3/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 3/20 0.50
NPC1 O15118 1/20 0.50
AVPR1A P37288 1/20 0.50
BRD4 O60885 3/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HTR7 P34969 3/20 0.44

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
SCHEMBL7131297 0.90 KMT2A (0.54) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7120426 0.89 MEN1 (0.64) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7126175 0.88 MEN1 (0.59) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7119880 0.88 MEN1 (0.48) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7123153 0.88 MEN1 (0.49) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7131289 0.86 MEN1 (0.50) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7130467 0.86 MEN1 (0.54) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7129404 0.86 MEN1 (0.49) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7130900 0.85 BRD4 (0.48) KMT2AMEN1MAPK1RAB9AL3MBTL1
SCHEMBL7123166 0.85 MEN1 (0.56) KMT2AMEN1MAPK1RAB9AL3MBTL1

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