SCHEMBL5717985

SCHEMBL5717985

O=C(O)N1CCN(C(=O)C(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.52
SLC6A4 P31645 2/20 0.39
NOTUM Q6P988 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SLC6A7 Q99884 1/20 0.38
HSD11B1 P28845 1/20 0.37
PKLR P30613 1/20 0.37

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
SCHEMBL27656001 1.00 SLC6A2 (0.52) SLC6A2SLC6A4NOTUMFFAR4SLC6A7
SCHEMBL28763192 1.00 SLC6A2 (0.52) SLC6A2SLC6A4NOTUMFFAR4SLC6A7
SCHEMBL3950214 0.89 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL3953918 0.88 SLC6A2 (0.50) SLC6A2SLC6A4
SCHEMBL3954276 0.88 SLC6A2 (0.50) SLC6A2SLC6A4
SCHEMBL3953408 0.88 SLC6A2 (0.51) SLC6A2SLC6A4NOTUMFFAR4HSD11B1
SCHEMBL3952934 0.87 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL3956503 0.87 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL3954680 0.87 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL27662478 0.87 SLC6A2 (0.49) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1972920-A Arylalkyl piperazine derivatives for the treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms WYETH CORP (US) 2007-05-30 CN disclosed
CN-1894226-A Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH CORP (US) 2007-01-10 CN disclosed
EP-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 EP disclosed
EP-1673059-A2 ALKANOL AND CYCLOALKANOL-AMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed