SCHEMBL29157757

SCHEMBL29157757

BrCCC(Br)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 5/20 0.44
TSHR P16473 2/20 0.43
CHRM2 P08172 5/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
KCNA5 P22460 5/20 0.41
KCNH2 Q12809 5/20 0.41
CHRM1 P11229 4/20 0.40
HRH1 P35367 4/20 0.40
HRH3 Q9Y5N1 4/20 0.40
CYP2D6 P10635 3/20 0.40
ADRA2B P18089 3/20 0.40
HTR2A P28223 3/20 0.40
DRD1 P21728 2/20 0.40
NFKB1 P19838 2/20 0.40
THPO P40225 2/20 0.40
HTR2C P28335 2/20 0.40

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
SCHEMBL6355812 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCHRM2
SCHEMBL6551622 0.82 KCNA5 (0.51) SLC6A2SLC6A4SLC6A3TSHRCHRM2
Bromide SCHEMBL9522591 0.82 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCHRM2
SCHEMBL28254705 0.79 KCNA5 (0.49) SLC6A2SLC6A4SLC6A3TSHRCHRM2
SCHEMBL28719296 0.79 HRH1 (0.48) SLC6A2SLC6A4SLC6A3TSHRHRH1
SCHEMBL29031285 0.78 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3TSHRCHRM2
SCHEMBL506747 0.78 KCNA5 (0.50) SLC6A2SLC6A4SLC6A3TSHRCHRM2
SCHEMBL177936 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCHRM2
Bromide SCHEMBL9168336 0.77 KCNA5 (0.46) SLC6A2SLC6A4SLC6A3TSHRCHRM2
SCHEMBL21405673 0.77 KCNA5 (0.46) SLC6A2SLC6A4SLC6A3TSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114767560-B Antibacterial composition and application thereof 常州瑞昊环保科技有限公司 2024-02-02 CN claimed
CN-118141991-A Use of composite materials 贺利氏医疗有限公司 2024-06-07 CN disclosed
CN-118001410-A Composition and use thereof 麦尔凯亚医学股份有限公司 2024-05-10 CN disclosed
CN-117736810-A Detergent composition 宝洁公司 2024-03-22 CN disclosed
CN-117683589-A Method for washing fabrics 宝洁公司 2024-03-12 CN disclosed
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 CN disclosed
CN-114901263-A Membrane preparation comprising a support 卡里亚制药控股有限公司 2022-08-12 CN disclosed