SCHEMBL7709022

SCHEMBL7709022

CN(CC(=O)O)CC1CCc2cc(OCC(C)(C)C)ccc2C1c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.76
PPARD Q03181 14/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PPARA Q07869 5/20 0.39
SLC8A1 P32418 1/20 0.38

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
SCHEMBL7698317 1.00 SLC6A9 (0.76) SLC6A9PPARDMTNR1AMTNR1BPPARA
Hydrochloric Acid SCHEMBL7703272 0.99 SLC6A9 (0.75) SLC6A9PPARDMTNR1AMTNR1BPPARA
Lithium Ion SCHEMBL7711880 0.93 SLC6A9 (0.66) SLC6A9PPARDMTNR1AMTNR1BPPARA
SCHEMBL1761264 0.89 SLC6A9 (0.81) SLC6A9PPARDMTNR1AMTNR1BPPARA
Org-25935 SCHEMBL27034881 0.87 SLC6A9 (1.00) SLC6A9PPARDMTNR1AMTNR1B
Org-25935 SCHEMBL1761267 0.87 SLC6A9 (1.00) SLC6A9PPARDMTNR1AMTNR1B
Org-25935 SCHEMBL7703430 0.87 SLC6A9 (1.00) SLC6A9PPARDMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7711859 0.86 SLC6A9 (0.76) SLC6A9PPARDMTNR1AMTNR1BPPARA
Hydrochloric Acid SCHEMBL7706014 0.86 SLC6A9 (0.76) SLC6A9PPARD
SCHEMBL1761249 0.86 SLC6A9 (0.79) SLC6A9PPARDMTNR1AMTNR1BPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US claimed