SCHEMBL7129149

SCHEMBL7129149

C=CCN1CCCN(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
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 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
AVPR1A P37288 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1B1 Q16678 2/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7130013 0.93 MEN1 (0.61) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7123695 0.90 MEN1 (0.52) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7131250 0.88 MEN1 (0.71) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7119987 0.87 HTR7 (0.50) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7130433 0.87 MEN1 (0.59) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7131289 0.86 MEN1 (0.50) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7129125 0.86 MEN1 (0.60) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7131031 0.85 MEN1 (0.64) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7124479 0.85 MEN1 (0.59) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7127692 0.85 BRD1 (0.52) 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