SCHEMBL8934074

SCHEMBL8934074

Clc1cc(Cl)c(OCCCBr)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
TACR2 P21452 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADORA1 P30542 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
GALE Q14376 1/20 0.46
DHFR P00374 3/20 0.44

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
SCHEMBL31222294 0.84 MAOA (0.52) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL31222276 0.84 MAOA (0.52) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL31222300 0.84 MAPT (0.40) DHFRLMNAL3MBTL1POLBTSHR
SCHEMBL27904735 0.84 MAPT (0.51) HTR2ALMNAL3MBTL1POLBTDP1
SCHEMBL31222270 0.80 MAOB (0.58) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL27904727 0.79 MAPT (0.50) L3MBTL1POLBTDP1MAPTMAPK1
SCHEMBL12967934 0.78 GLA (0.51) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL2205085 0.78 MAPT (0.59) L3MBTL1TSHRTDP1MAPTMAPK1
SCHEMBL11094283 0.77 NR1I2 (0.42) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL4897444 0.76 LMNA (0.48) NR1I2ADRA2AADORA3ADRA2BADRA2C

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
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed