SCHEMBL23330146

SCHEMBL23330146

O=S(=O)(CC1CCNCC1)c1ccc(Br)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A4 P31645 2/20 0.40
AOC2 O75106 2/20 0.39
MAOA P21397 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CNR2 P34972 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HSD11B1 P28845 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL2409974 0.90 AOC2 (0.42) AOC2MAOACA1CA2CA7
SCHEMBL23329863 0.77 PLCG1 (0.50) CHRM1CHRM3SLC6A4AOC2MAOA
SCHEMBL23330143 0.76 AOC2 (0.60) AOC2HCRTR1HCRTR2KMT2A
SCHEMBL23330142 0.73 STS (0.47) AOC2PKM
SCHEMBL25256077 0.72 CA1 (0.44) CA1CA2CNR2HCRTR1HCRTR2
SCHEMBL2413125 0.69 HSD11B1 (0.40) CA1CA2CA7CA9CA14
SCHEMBL2414267 0.69 CA1 (0.50) CA1CA2CA7CA9CA14
SCHEMBL18704533 0.68 CA1 (0.43) CA1CA2CA7CA9CA14
SCHEMBL12748488 0.68 HTR6 (0.44) CHRM1CHRM3SLC6A2SLC6A3
SCHEMBL19420464 0.68 CNR2 (0.39) CHRM1CHRM3SLC6A4CNR2PIM1

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-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 WO disclosed