SCHEMBL7128313

SCHEMBL7128313

CCN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CC2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP1B1 Q16678 4/20 0.51
BRD1 O95696 1/20 0.49
TAF1 P21675 1/20 0.49
BRPF1 P55201 1/20 0.49
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
AVPR1A P37288 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BRD4 O60885 8/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APAF1 O14727 1/20 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
SCHEMBL7120096 0.93 CYP1B1 (0.54) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7125212 0.92 MEN1 (0.59) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7129656 0.92 BRD1 (0.53) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7130538 0.92 BRD1 (0.55) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7123906 0.91 CYP1B1 (0.54) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7129139 0.91 CYP1B1 (0.54) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7123027 0.90 MEN1 (0.54) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7130986 0.90 CYP1B1 (0.55) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7128510 0.89 MEN1 (0.53) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7129206 0.89 MEN1 (0.61) MEN1KMT2AL3MBTL1RAB9AMAPK1

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