SCHEMBL1551807

SCHEMBL1551807

CC(C)(F)c1nc(N)nc(N[C@@H](CCCc2ccccc2)C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
CACNA2D1 P54289 1/20 0.36
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.32
MMP2 P08253 4/20 0.32
MMP3 P08254 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
IDH1 O75874 1/20 0.32
IDH2 P48735 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
SCHEMBL1551811 1.00 HTR7 (0.42) HTR7CACNA2D1CYP2D6TSHRMMP2
SCHEMBL1552520 1.00 HTR7 (0.42) HTR7CACNA2D1CYP2D6TSHRMMP2
SCHEMBL4004607 0.96 HTR7 (0.41) HTR7CACNA2D1CYP2D6MMP2MMP3
SCHEMBL1551285 0.90 HTR7 (0.38) HTR7TSHRHRH4IDH1
SCHEMBL1552281 0.90 HTR7 (0.38) HTR7TSHRHRH4IDH1
SCHEMBL1551284 0.90 HTR7 (0.38) HTR7TSHRHRH4IDH1
SCHEMBL7785412 0.87 IDH1 (0.30) HRH4IDH1
SCHEMBL6170779 0.87 IDH1 (0.30) HRH4IDH1
SCHEMBL6303142 0.82 CACNA2D1 (0.33) HTR7CACNA2D1MMP2MMP3IDH1
SCHEMBL5431275 0.82 HTR7 (0.45) HTR7CACNA2D1CYP2D6HRH4TLR8

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-2012588-B1 AQUEOUS SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2011-04-27 EP disclosed
CN-101404886-A Aqueous suspension concentrate BAYER CROPSCIENCE AG (DE) 2009-04-08 CN disclosed
EP-1854355-A1 Aqueous suspension concentrates Bayer CropScience AG (DE) 2007-11-14 EP disclosed
EP-1790227-A1 Aqueous suspension-concentrates of 2,4-diamino-s-triazine herbicides Bayer CropScience AG (DE) 2007-05-30 EP disclosed