SCHEMBL28858566

SCHEMBL28858566

ClC(CBr)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A3 Q01959 5/20 0.45
TSHR P16473 2/20 0.44
KCNA5 P22460 5/20 0.42
KCNH2 Q12809 5/20 0.42
KCNE1 P15382 2/20 0.40
CYP2D6 P10635 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 5/20 0.39
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM1 P11229 4/20 0.37
HRH1 P35367 4/20 0.37
HRH3 Q9Y5N1 4/20 0.37
ADRA2B P18089 3/20 0.37

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
SCHEMBL177672 0.83 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL4046933 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL7753102 0.79 KCNA5 (0.50) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL6355812 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL27855629 0.76 KCNA5 (0.51) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL8317919 0.76 HRH1 (0.42) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL21742037 0.76 TSHR (0.46) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL6484534 0.76
SCHEMBL6357883 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL28438631 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119061410-A Method for electrochemically synthesizing chlorobromide 中国科学院大连化学物理研究所 2024-12-03 CN disclosed
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN disclosed
CN-115197046-A Halogenation method of unsaturated hydrocarbon 华南理工大学 2022-10-18 CN disclosed