SCHEMBL7124491

SCHEMBL7124491

O=C1c2cccc3c(N4CCCN(CCc5ccccc5)CC4)ccc(c23)N1CCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.48
ADRA1A P35348 10/20 0.48
ADRA1B P35368 10/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
AVPR1A P37288 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 3/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR6 P50406 2/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1B1 Q16678 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
SCHEMBL7128623 0.96 MEN1 (0.46) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7127734 0.95 HTR1A (0.48) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7120725 0.95 HTR7 (0.48) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7131429 0.91 MEN1 (0.52) MEN1KMT2ARAB9AMAPK1NPC1
SCHEMBL7123695 0.91 MEN1 (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7124502 0.90 HTR1A (0.49) MEN1KMT2ARAB9AMAPK1NPC1
SCHEMBL7123650 0.89 HTR1A (0.50) MEN1KMT2ARAB9AMAPK1NPC1
SCHEMBL7132494 0.88 MEN1 (0.59) MEN1KMT2ARAB9AMAPK1NPC1
SCHEMBL7121947 0.87 HTR7 (0.50) MEN1KMT2ARAB9AMAPK1NPC1
SCHEMBL7119840 0.87 MEN1 (0.54) ADRA1DADRA1AADRA1BMEN1KMT2A

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