SCHEMBL7120774

SCHEMBL7120774

CCCCCN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CC)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
BRD4 O60885 6/20 0.54
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
AVPR1A P37288 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
APAF1 O14727 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR1A P08908 4/20 0.49

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
SCHEMBL7123937 0.97 KMT2A (0.60) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7126175 0.94 MEN1 (0.59) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7131407 0.93 MEN1 (0.66) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7123279 0.89 MEN1 (0.61) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7128596 0.89 MEN1 (0.54) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7120804 0.89 MEN1 (0.60) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7120426 0.88 MEN1 (0.64) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7128510 0.88 MEN1 (0.53) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7129631 0.88 MEN1 (0.53) KMT2AMEN1RAB9AL3MBTL1MAPK1
SCHEMBL7126196 0.88 MEN1 (0.53) KMT2AMEN1RAB9AL3MBTL1MAPK1

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 2 patents. 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
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 disclosed