SCHEMBL3353571

SCHEMBL3353571

Cn1cc(CN2CCCC2)c2cc(N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
CACNB4 O00305 5/20 0.47
CACNA1A O00555 5/20 0.47
CACNA1G O43497 5/20 0.47
CACNG3 O60359 5/20 0.47
CACNA1F O60840 5/20 0.47
CACNA1H O95180 5/20 0.47
CACNB3 P54284 5/20 0.47
CACNA2D1 P54289 5/20 0.47
CACNG7 P62955 5/20 0.47
CACNA1B Q00975 5/20 0.47
CACNA1D Q01668 5/20 0.47
CACNB1 Q02641 5/20 0.47
CACNG1 Q06432 5/20 0.47
CACNB2 Q08289 5/20 0.47
CACNA1S Q13698 5/20 0.47
CACNA1C Q13936 5/20 0.47
CACNA1E Q15878 5/20 0.47
CACNA2D4 Q7Z3S7 5/20 0.47
CACNA2D3 Q8IZS8 5/20 0.47

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
SCHEMBL3350921 0.99 ACHE (0.50) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3352639 0.90 NR1H2 (0.53) LMNAGLAALDH1A1TSHRADRB2
SCHEMBL3357664 0.87 HRH3 (0.47) LMNAGLAALDH1A1TSHRADRB2
SCHEMBL3355548 0.87 HTR1D (0.48) ACHEADRB2HTR1DGAA
SCHEMBL3353653 0.87 ACHE (0.50) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3355352 0.86 ADRB2 (0.47) ACHEADRB2HTR1DGAA
SCHEMBL3357851 0.82 ICMT (0.54) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3358868 0.78 NR1H2 (0.53) LMNAGLAALDH1A1TSHRNR1H2
SCHEMBL13537352 0.78 CACNB4 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL9400590 0.78 ADRB2 (0.49) LMNAALDH1A1ADRB2HTR1DGAA

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed