SCHEMBL2470158

SCHEMBL2470158

CCCNc1nc(C2CC2)nc(C(=O)O)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.57
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE4D Q08499 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
SCHEMBL2469864 0.92 PDE10A (0.48) PDE10ATLR8
SCHEMBL2464501 0.90 PDE10A (0.46) PDE10ATLR8
SCHEMBL1611084 0.78 PDE10A (0.60) PDE10APDE4BPDE4D
SCHEMBL1609892 0.78 PDE10A (0.54) PDE10APDE4BPDE4D
SCHEMBL1609597 0.77 PDE10A (0.46) PDE10APDE4BPDE4D
SCHEMBL1611392 0.77 PDE10A (0.44) PDE10AALDH1A1PDE4BPDE4D
SCHEMBL1609122 0.75 PDE10A (0.48) PDE10APDE4BPDE4D
SCHEMBL1609883 0.75 PDE10A (0.43) PDE10AALDH1A1LMNAMAPTPDE4B
SCHEMBL1609398 0.75 PDE10A (0.54) PDE10APDE4BPDE4D
SCHEMBL1610459 0.74 CHRM3 (0.52) PDE10APDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2369931-A2 HERBICIDE/SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
WO-2010060578-A2 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
EP-2191720-A1 Herbicide-safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-2369931-A2 HERBICIDE/SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060578-A2 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191720-A1 Herbicide-safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed