SCHEMBL3353653

SCHEMBL3353653

Cn1cc(CN2CCCCC2)c2ccc(N)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CACNB4 O00305 4/20 0.43
CACNA1A O00555 4/20 0.43
CACNA1G O43497 4/20 0.43
CACNG3 O60359 4/20 0.43
CACNA1F O60840 4/20 0.43
CACNA1H O95180 4/20 0.43
CACNB3 P54284 4/20 0.43
CACNA2D1 P54289 4/20 0.43
CACNG7 P62955 4/20 0.43
CACNA1B Q00975 4/20 0.43
CACNA1D Q01668 4/20 0.43
CACNB1 Q02641 4/20 0.43
CACNG1 Q06432 4/20 0.43
CACNB2 Q08289 4/20 0.43
CACNA1S Q13698 4/20 0.43
CACNA1C Q13936 4/20 0.43

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 0.89 ACHE (0.50) ACHELMNAGLAALDH1A1CACNB4
SCHEMBL3358868 0.89 NR1H2 (0.53) LMNAGLAALDH1A1TSHRHRH3
SCHEMBL3353571 0.87 ACHE (0.51) ACHELMNAGLAALDH1A1CACNB4
SCHEMBL3358110 0.86 HRH3 (0.55) LMNAGLAALDH1A1TSHRHRH3
SCHEMBL2075509 0.86 HTR2A (0.44) ACHEHRH3
SCHEMBL3352252 0.81 CACNB4 (0.43) ACHEALDH1A1CACNB4CACNA1ACACNA1G
SCHEMBL13537599 0.80 LMNA (0.43) LMNAGLAALDH1A1CACNB4CACNA1A
SCHEMBL3351825 0.79 ACHE (0.44) ACHEALDH1A1CACNB4CACNA1ACACNA1G
SCHEMBL3357970 0.79 NR1H2 (0.47) ACHELMNAALDH1A1CACNB4CACNA1A
SCHEMBL5961922 0.79 LMNA (0.69) LMNAGLAALDH1A1DRD2TSHR

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