SCHEMBL7129656

SCHEMBL7129656

CCN1C(=O)c2cccc3c(N4CCCN(CC5CCC5)CC4)ccc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD1 O95696 1/20 0.53
TAF1 P21675 1/20 0.53
BRPF1 P55201 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 2/20 0.53
BRD4 O60885 10/20 0.50
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
APAF1 O14727 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1B1 Q16678 1/20 0.48
USP2 O75604 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
SCHEMBL7130477 0.97 MEN1 (0.54) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7131301 0.97 BRD1 (0.56) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7120096 0.93 CYP1B1 (0.54) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7128313 0.92 MEN1 (0.53) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7130538 0.92 BRD1 (0.55) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7123906 0.91 CYP1B1 (0.54) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7129139 0.91 CYP1B1 (0.54) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7130460 0.90 MEN1 (0.54) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7130986 0.90 CYP1B1 (0.55) BRD1TAF1BRPF1L3MBTL1MEN1
SCHEMBL7121216 0.89 BRD1 (0.51) BRD1TAF1BRPF1L3MBTL1MEN1

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