SCHEMBL9769754

SCHEMBL9769754

COCC#CCOc1cc(N)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
TACR2 P21452 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR6 P50406 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
GALE Q14376 1/20 0.41
NPC1 O15118 1/20 0.39

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
SCHEMBL8602249 0.88 NR1I2 (0.44) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL29901582 0.88 NR1I2 (0.44) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL9872059 0.81 NPC1 (0.43) HTR2AHTR2CNPC1GAAMAOA
SCHEMBL8879337 0.80 L3MBTL1 (0.48) NPC1GAAMAOAPOLBL3MBTL1
SCHEMBL4592760 0.80 PGK1 (0.43) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL8878658 0.80 ALOX5AP (0.39) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL8599602 0.77 PPOX (0.45) HTR2CNPC1GAAMAOAPPOX
SCHEMBL9769677 0.76 MAOA (0.40) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL9684658 0.76 L3MBTL1 (0.44) NPC1GAAMAOALMNAPOLB
SCHEMBL1224878 0.75 NPC1 (0.67) HTR2AHTR2CNPC1GAATAAR1

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
US-5068365-A Herbicides TOSOH CORPORATION (JP) 1991-11-26 US disclosed
EP-0326764-A2 Hexahydrophthalic anilide derivatives and herbicide compositions containing the same Tosoh Corporation (JP) 1989-08-09 EP disclosed