SCHEMBL7130433

SCHEMBL7130433

CCCN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CCc2ccccc2)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
RAB9A P51151 4/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
BRD4 O60885 1/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
AVPR1A P37288 1/20 0.48
CYP1B1 Q16678 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ADRA1D P25100 4/20 0.45
ADRA1A P35348 4/20 0.45
ADRA1B P35368 4/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL7131655 0.94 MEN1 (0.54) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7123695 0.94 MEN1 (0.52) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7129631 0.93 MEN1 (0.53) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7130467 0.92 MEN1 (0.54) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7119840 0.91 MEN1 (0.54) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7119987 0.91 HTR7 (0.50) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7129362 0.90 MEN1 (0.49) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7123866 0.90 MEN1 (0.53) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7132420 0.90 MEN1 (0.48) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7132382 0.89 MEN1 (0.49) MEN1KMT2ARAB9AMAPK1L3MBTL1

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