SCHEMBL7129631

SCHEMBL7129631

CCCCCN1CCCN(c2ccc3c4c(cccc24)C(=O)N3CCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR7 P34969 8/20 0.49
HTR1A P08908 10/20 0.49
DRD2 P14416 7/20 0.49
HTR2A P28223 7/20 0.49
HTR6 P50406 7/20 0.49
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
AVPR1A P37288 1/20 0.46
CYP1B1 Q16678 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 0.97 MEN1 (0.54) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7130467 0.94 MEN1 (0.54) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7130433 0.93 MEN1 (0.59) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7123866 0.93 MEN1 (0.53) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7119987 0.92 HTR7 (0.50) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7123695 0.91 MEN1 (0.52) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7126175 0.90 MEN1 (0.59) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7129362 0.89 MEN1 (0.49) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7131215 0.89 MEN1 (0.53) MEN1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL7119840 0.89 MEN1 (0.54) MEN1RAB9AKMT2AMAPK1L3MBTL1

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