SCHEMBL28094808

SCHEMBL28094808

C#CC(I)Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
TACR2 P21452 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADORA1 P30542 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
GALE Q14376 1/20 0.39
MPO P05164 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
SCHEMBL13019313 0.67 CSNK2A1 (0.50) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL10358890 0.64 TDP1 (0.42) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL9769730 0.63 NPC1 (0.52)
SCHEMBL28105594 0.62 MPO (0.47) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL960297 0.60 AKR1B1 (0.37)
SCHEMBL10535978 0.60 TSHR (0.42) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL8096564 0.60 NR1I2 (0.35) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL16606252 0.60 CSNK2A1 (0.52) NR1I2LMNA
SCHEMBL11465501 0.59 LMNA (0.41) NR1I2ADRA2AADORA3ADRA2BADRA2C
Fenoprop SCHEMBL2419073 0.59 TSHR (0.56) HTR2AHTR2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106028811-B The microcapsules of biocidal 朗盛德国有限责任公司 2019-06-18 CN disclosed
CN-106028811-A Biocidic microcapsules 朗盛德国有限责任公司 2016-10-12 CN disclosed