SCHEMBL7128128

SCHEMBL7128128

CCN1C(=O)c2cccc3c(N4CCCN(CCC(F)(F)F)CC4)ccc1c23

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
RAB9A P51151 2/20 0.54
MAPK1 P28482 2/20 0.54
BRD4 O60885 8/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
AVPR1A P37288 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
APAF1 O14727 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RORC P51449 1/20 0.46

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
SCHEMBL7128407 0.94 MEN1 (0.53) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7131429 0.93 MEN1 (0.52) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7132494 0.91 MEN1 (0.59) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7121947 0.90 HTR7 (0.50) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7127343 0.89 MEN1 (0.54) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7129620 0.89 MEN1 (0.49) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7131407 0.89 MEN1 (0.66) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7131733 0.89 MEN1 (0.48) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7120109 0.88 MEN1 (0.53) MEN1KMT2AL3MBTL1RAB9AMAPK1
SCHEMBL7123650 0.88 HTR1A (0.50) 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