SCHEMBL6262182

SCHEMBL6262182

CCCC(CC)Nc1nc(N)nc(C(C)F)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 2/20 0.33
KCNH2 Q12809 7/20 0.33
CYP2D6 P10635 2/20 0.33
HTR2A P28223 2/20 0.32
DRD1 P21728 1/20 0.32
ADORA1 P30542 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL6262900 0.91 HRH4 (0.35) HRH4HTR7HTR6
SCHEMBL6231272 0.77 KCNH2 (0.43) TLR8TLR7KCNH2CYP2D6HTR2A
SCHEMBL7946808 0.76 HTR7 (0.45) HTR2AHTR7HTR6
SCHEMBL7751584 0.76 MAOA (0.38) HTR2AHTR1AHTR7HTR6
SCHEMBL6262284 0.75 KCNH2 (0.32) TLR8TLR7KCNH2CYP2D6HTR2A
SCHEMBL19336345 0.74 HTR7 (0.38) HTR2AHRH4HTR1AHTR7HTR6
SCHEMBL7723310 0.73 HTR7 (0.43) HTR2AHTR1AHTR7HTR6
SCHEMBL6691988 0.73 TLR8 (0.40) TLR8TLR7KCNH2
SCHEMBL1411334 0.69 KCNH2 (0.38) TLR8TLR7KCNH2CYP2D6HTR2A
SCHEMBL21989882 0.69 HRH4 (0.34) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135375-B1 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES BAYER CROPSCIENCE KK (JP) 2005-11-09 EP disclosed
US-6645915-B1 Cyclohexylalkylamino-1,3,5-triazines derivatives; herbicides; cyclization of biguanide NIHON BAYER AGROCHEM K. K. (JP) 2003-11-11 US disclosed
EP-1135375-A2 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-26 EP disclosed
WO-2000032580-A2 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2000-06-08 WO disclosed