SCHEMBL2464501

SCHEMBL2464501

CCCCCCCCNc1nc(C2CC2)nc(C(=O)O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.46
TLR8 Q9NR97 1/20 0.39
KMT2A Q03164 1/20 0.36
HCAR3 P49019 1/20 0.34
CISD1 Q9NZ45 5/20 0.34
KARS1 Q15046 2/20 0.34
KIT P10721 1/20 0.34

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 0.95 PDE10A (0.48) PDE10ATLR8HCAR3
SCHEMBL1610108 0.74 PDE10A (0.46) PDE10ATLR8KMT2A
SCHEMBL1611392 0.73 PDE10A (0.44) PDE10AKMT2A
SCHEMBL1610459 0.73 CHRM3 (0.52) PDE10AKMT2A
SCHEMBL13769420 0.70 MTNR1A (0.41) PDE10A
SCHEMBL1609295 0.70 PDE10A (0.44) PDE10A
SCHEMBL1610317 0.70 SMN1; SMN2 (0.42) PDE10AKMT2A
SCHEMBL719516 0.69 TDP1 (0.47) PDE10AKMT2A
SCHEMBL1609959 0.69 PDE10A (0.41) PDE10A
SCHEMBL1609076 0.68 PDE10A (0.41) PDE10A

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