SCHEMBL1002941

SCHEMBL1002941

CCSCC(Oc1ccc(F)c(F)c1F)C1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.34
SLC6A3 Q01959 8/20 0.34
SLC6A4 P31645 7/20 0.34
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL966257 0.68 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4
SCHEMBL966258 0.68 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4
SCHEMBL1054006 0.68 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4
SCHEMBL1002940 0.67 TACR1 (0.33) SLC6A3HCRTR2
SCHEMBL1059404 0.66 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4
SCHEMBL1060655 0.66 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4
SCHEMBL1060653 0.66 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4
SCHEMBL966791 0.61 SLC6A4 (0.57) SLC6A2SLC6A3SLC6A4
SCHEMBL964436 0.61 SLC6A4 (0.57) SLC6A2SLC6A3SLC6A4
SCHEMBL964438 0.61 SLC6A4 (0.57) SLC6A2SLC6A3SLC6A4

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-2011011231-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-01-27 WO disclosed