SCHEMBL13093030

SCHEMBL13093030

COC(=O)C1NCC[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.55
SLC6A4 P31645 7/20 0.55
SLC6A2 P23975 1/20 0.54

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
SCHEMBL13093193 1.00 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL13093211 0.90 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2
SCHEMBL13093274 0.83 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL13093209 0.83 TP53 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL13093053 0.82 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL13092987 0.82 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL13093212 0.81 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL5972686 0.80 SLC6A2 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL7356872 0.80 SLC6A4 (0.55) SLC6A3SLC6A4
SCHEMBL13093498 0.80 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2

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
WO-2010123006-A1 PYRROLIDINE COMPOUND 武田薬品工業株式会社 (JP) 2010-10-28 WO disclosed