SCHEMBL5764262

SCHEMBL5764262

O=C(N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1)C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.80
SLC6A2 P23975 18/20 0.80
SLC6A3 Q01959 7/20 0.71
CYP2D6 P10635 2/20 0.71
KCNH2 Q12809 2/20 0.71

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
SCHEMBL4634033 0.81 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL5762418 0.78 SLC6A2 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4499777 0.78 SLC6A2 (0.66) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4478808 0.77 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Cadaverine Tartrate SCHEMBL4498118 0.77 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4517836 0.74 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4500767 0.74 SLC6A2 (0.66) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4475386 0.73 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4486154 0.73 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4746288 0.73 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed