SCHEMBL3351079

SCHEMBL3351079

COCCn1cc(CN2CCN(C)CC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.48
HTR7 P34969 1/20 0.45
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNG1 Q06432 1/20 0.45
CACNB2 Q08289 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
CACNA1E Q15878 1/20 0.45
CACNA2D4 Q7Z3S7 1/20 0.45

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
SCHEMBL3356042 0.93 CACNB4 (0.52) HTR6HTR7CACNB4CACNA1ACACNA1G
SCHEMBL3354509 0.92 CACNB4 (0.54) HTR6HTR7CACNB4CACNA1ACACNA1G
SCHEMBL3353183 0.91 CTSB (0.53) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3352715 0.86 HTR7 (0.59) HTR6HTR7CACNB4CACNA1ACACNA1G
SCHEMBL3356418 0.83 HTR6 (0.54) HTR6HTR7CDK1CCNB1SMN1; SMN2
SCHEMBL3354038 0.81 NR1H2 (0.46) HTR6
SCHEMBL3352610 0.80 F2RL3 (0.39) MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3354160 0.79 ALDH1A1 (0.50) MAPTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL13537213 0.78 BCL6 (0.44) HTR6MAPTSMN1; SMN2
SCHEMBL3352886 0.77 MAPT (0.42) MAPTHPGDALDH1A1SMN1; SMN2HTT

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 1 patent. 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