SCHEMBL6205072

SCHEMBL6205072

CC(C)COC(=O)N1CCC(N(CCCC#N)Cc2ccc(F)cc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.61
SLC6A2 P23975 18/20 0.61
SLC6A3 Q01959 2/20 0.46
HTR2A P28223 1/20 0.43

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
SCHEMBL5994154 0.88 SLC6A4 (0.62) SLC6A4SLC6A2
SCHEMBL5992943 0.78 SLC6A4 (0.62) SLC6A4SLC6A2HTR2A
SCHEMBL5997831 0.74 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3
SCHEMBL5995931 0.73 SLC6A4 (0.51) SLC6A4SLC6A2
SCHEMBL5997164 0.72 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
Cadaverine Tartrate SCHEMBL5993760 0.71 SLC6A4 (0.91) SLC6A4SLC6A2SLC6A3
SCHEMBL5994452 0.70 EPHX2 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL5997010 0.70 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3
SCHEMBL16269692 0.70 EPHX2 (0.53) SLC6A4SLC6A2HTR2A
SCHEMBL6183532 0.69 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed