SCHEMBL4600547

SCHEMBL4600547

COCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(O)=S.NC1CCC(F)(F)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.69
MALT1 Q9UDY8 1/20 0.35
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNG1 Q06432 1/20 0.33
CACNB2 Q08289 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1E Q15878 1/20 0.33
CACNA2D4 Q7Z3S7 1/20 0.33

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
SCHEMBL4600541 0.89 CNR1 (0.65) CNR1MALT1CACNB4CACNA1ACACNA1G
SCHEMBL4247679 0.84 CNR1 (0.57) CNR1SLC2A1
SCHEMBL4679409 0.78 CNR1 (1.00) CNR1NR1H4
SCHEMBL4243036 0.73 CNR1 (0.48) CNR1SLC2A1
SCHEMBL4677342 0.72 CNR1 (0.69) CNR1
SCHEMBL4681021 0.72 CNR1 (0.57) CNR1SLC2A1
SCHEMBL4242266 0.71 CNR1 (0.73) CNR1MALT1NR1H4
SCHEMBL4247678 0.69 CNR1 (0.57) CNR1SLC2A1
SCHEMBL4680862 0.68 CNR1 (0.59) CNR1
SCHEMBL4245861 0.66 CNR1 (0.41) CNR1MALT1SLC2A1

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
EP-1910304-A2 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010222-A2 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed