SCHEMBL7124479

SCHEMBL7124479

C=CCN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CCC(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPK1 P28482 2/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
AVPR1A P37288 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
TLR9 Q9NR96 1/20 0.46
BRD4 O60885 4/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR1A P08908 4/20 0.39
BRD1 O95696 3/20 0.39

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
SCHEMBL7123625 0.93 MEN1 (0.61) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7128624 0.90 MEN1 (0.61) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7127386 0.90 MEN1 (0.55) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7119849 0.88 MEN1 (0.53) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7131250 0.88 MEN1 (0.71) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7129125 0.88 MEN1 (0.60) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7131031 0.87 MEN1 (0.64) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7131695 0.87 MEN1 (0.64) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7124485 0.86 MEN1 (0.55) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7129149 0.85 MEN1 (0.59) MEN1KMT2AMAPK1CRHBPCRHR2

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