SCHEMBL5718488

SCHEMBL5718488

C[C@@H]1CN(CC(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CCN1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.76
SLC6A4 P31645 2/20 0.53

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
SCHEMBL3953741 1.00 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL27683954 1.00 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL3957607 1.00 SLC6A2 (0.76) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3986706 0.99 SLC6A2 (0.76) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27651842 0.99 SLC6A2 (0.76) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4799980 0.99 SLC6A2 (0.76) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3952484 0.99 SLC6A2 (0.76) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3955406 0.99 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL3961500 0.91 SLC6A2 (0.73) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3955806 0.90 SLC6A2 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1898222-A Substituted aryl cycloalkanol derivatives and methods of their use WYETH CORP (US) 2007-01-17 CN claimed
CN-1897950-A Fused aryl and heteroaryl derivatives and methods of use thereof WYETH CORP (US) 2007-01-17 CN disclosed
CN-1898222-A Substituted aryl cycloalkanol derivatives and methods of their use WYETH CORP (US) 2007-01-17 CN disclosed
EP-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 EP disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed