SCHEMBL7129125

SCHEMBL7129125

C=CCN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CCCC)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPK1 P28482 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
AVPR1A P37288 1/20 0.47
BRD4 O60885 2/20 0.46
HTR1A P08908 7/20 0.44
HTR7 P34969 5/20 0.44
DRD2 P14416 4/20 0.44
HTR2A P28223 4/20 0.44
HTR6 P50406 4/20 0.44
RGS12 O14924 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7128648 0.92 MEN1 (0.62) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7131031 0.90 MEN1 (0.64) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7123279 0.90 MEN1 (0.61) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7120426 0.89 MEN1 (0.64) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7131250 0.89 MEN1 (0.71) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7120170 0.88 MEN1 (0.65) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7126175 0.88 MEN1 (0.59) MEN1KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL7130489 0.88 MEN1 (0.57) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7124479 0.88 MEN1 (0.59) MEN1KMT2AMAPK1TDP1CRHBP
SCHEMBL7129149 0.86 MEN1 (0.59) MEN1KMT2AMAPK1TDP1CRHBP

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