SCHEMBL7121229

SCHEMBL7121229

CC(C)CCN1C(=O)c2cccc3c(N4CCCN(CC5CCCCC5)CC4)ccc1c23

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD1 O95696 1/20 0.51
TAF1 P21675 1/20 0.51
BRPF1 P55201 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
AVPR1A P37288 1/20 0.48
CYP1B1 Q16678 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TLR9 Q9NR96 1/20 0.44
BRD4 O60885 6/20 0.42
USP2 O75604 1/20 0.40

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
SCHEMBL7129403 0.97 BRD1 (0.51) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7126154 0.96 BRD1 (0.54) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7128149 0.93 MEN1 (0.50) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7128007 0.90 MEN1 (0.48) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7130986 0.89 CYP1B1 (0.55) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7127386 0.89 MEN1 (0.55) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7121216 0.88 BRD1 (0.51) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7130477 0.88 MEN1 (0.54) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7129139 0.88 CYP1B1 (0.54) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7128627 0.88 BRD1 (0.54) BRD1TAF1BRPF1MEN1KMT2A

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