SCHEMBL21729503

SCHEMBL21729503

CN(C)C1CCC(Oc2cc(Br)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
IRAK4 Q9NWZ3 5/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SLC6A4 P31645 3/20 0.36
AVPR1A P37288 3/20 0.35
HDAC6 Q9UBN7 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL29979964 0.87 LOX (0.49) HCRTR1HCRTR2IRAK4LOXLOXL2
SCHEMBL16695529 0.87 LOX (0.49) HCRTR1HCRTR2IRAK4LOXLOXL2
SCHEMBL17448838 0.83 HCRTR1 (0.47) HCRTR1HCRTR2LOXLOXL2AVPR1A
SCHEMBL20266990 0.81 LOX (0.54) HCRTR1HCRTR2LOXLOXL2AVPR1A
SCHEMBL25323010 0.81 HCRTR1 (0.43) HCRTR1HCRTR2LOXLOXL2AVPR1A
SCHEMBL18159813 0.80 HCRTR1 (0.44) HCRTR1HCRTR2IRAK4LOXLOXL2
SCHEMBL18150702 0.80 HCRTR1 (0.44) HCRTR1HCRTR2IRAK4LOXLOXL2
SCHEMBL18150701 0.80 HCRTR1 (0.44) HCRTR1HCRTR2IRAK4LOXLOXL2
SCHEMBL30001347 0.80 LOX (0.60) HCRTR1HCRTR2LOXLOXL2AVPR1A
SCHEMBL21723114 0.78 HCRTR1 (0.45) HCRTR1HCRTR2LOXLOXL2HRH3

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
WO-2020035466-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed