SCHEMBL13093189

SCHEMBL13093189

COC(=O)[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.55
SLC6A3 Q01959 10/20 0.55
SLC6A2 P23975 2/20 0.55

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
SCHEMBL13093283 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2
SCHEMBL13092975 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2
SCHEMBL13093170 1.00 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2
SCHEMBL13092909 0.89 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL13092908 0.89 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL13093494 0.89 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL13093185 0.84 PDE4B (0.43)
SCHEMBL5973789 0.84 PDE4B (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL7436099 0.84 PDE4B (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL20806008 0.84 PDE4B (0.42) SLC6A4SLC6A3SLC6A2

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