SCHEMBL3357997

SCHEMBL3357997

CN1CC=C(c2cn(C(=O)C(C)(C)C)c3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.58
HTR6 P50406 8/20 0.48

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
SCHEMBL3358317 0.83 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL13537294 0.82 HTR6 (0.53) HTR6
SCHEMBL3358160 0.76 SLC6A4 (0.60) SLC6A4HTR6
SCHEMBL9462659 0.76 SLC6A4 (0.55) SLC6A4HTR6
SCHEMBL3129661 0.75 SLC6A4 (0.54) SLC6A4HTR6
SCHEMBL3336366 0.75 HTR6 (0.72) SLC6A4HTR6
SCHEMBL9463251 0.74 SLC6A4 (0.53) SLC6A4HTR6
SCHEMBL9463063 0.74 SLC6A4 (0.53) SLC6A4HTR6
SCHEMBL17495514 0.74 SLC6A4 (0.47) SLC6A4HTR6
SCHEMBL17495516 0.74 SLC6A4 (0.47) SLC6A4HTR6

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