SCHEMBL5139912

SCHEMBL5139912

CN(C)CC1(c2ccc(C(F)(F)F)cc2)CCC(O)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.70
SLC6A3 Q01959 16/20 0.70
SLC6A2 P23975 4/20 0.69
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 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
SCHEMBL3519279 0.82 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3520034 0.82 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL5139911 0.78 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2
SCHEMBL3518111 0.74 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3518113 0.74 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL13253926 0.74 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3518125 0.74 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3521010 0.74 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3518127 0.74 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3521008 0.74 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2

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-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed