SCHEMBL4989694

SCHEMBL4989694

CCC1CCCCC1(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.51
SLC6A4 P31645 9/20 0.51
OPRM1 P35372 7/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC22A1 O15245 3/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A9 P48067 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL5718315 0.91 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5701109 0.90 SLC6A2 (0.43) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5718197 0.87 SLC6A2 (0.53) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL898940 0.85 SLC6A2 (0.49) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL898941 0.85 SLC6A2 (0.49) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28002157 0.84 SLC6A4 (0.47) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL13292259 0.83 SLC6A4 (0.74) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL13292251 0.83 SLC6A2 (0.55) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL12298854 0.83 SLC6A4 (0.74) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL15216759 0.83 SLC6A4 (0.74) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345096-B2 Use of norepinephrine reuptake modulators for preventing and treating vasomotor symptoms WYETH (US) 2008-03-18 US 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