SCHEMBL7698352

SCHEMBL7698352

CN(CC(=O)O)C[C@H]1CCc2cc(Oc3ccccc3)ccc2[C@H]1c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.82
PPARD Q03181 4/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
ALOX5 P09917 1/20 0.42
SLC8A1 P32418 1/20 0.41
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
NPY5R Q15761 1/20 0.39
GHSR Q92847 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL7708980 1.00 SLC6A9 (0.82) SLC6A9PPARDMTNR1AMTNR1BALOX5
Lithium Ion SCHEMBL7700187 0.92 SLC6A9 (0.70) SLC6A9PPARDMTNR1AMTNR1BALOX5
Org-25935 SCHEMBL7703430 0.90 SLC6A9 (1.00) SLC6A9PPARDMTNR1AMTNR1B
Org-25935 SCHEMBL1761267 0.90 SLC6A9 (1.00) SLC6A9PPARDMTNR1AMTNR1B
Org-25935 SCHEMBL27034881 0.90 SLC6A9 (1.00) SLC6A9PPARDMTNR1AMTNR1B
Org-25935 SCHEMBL7703262 0.89 SLC6A9 (0.98) SLC6A9PPARDMTNR1AMTNR1B
SCHEMBL1761264 0.88 SLC6A9 (0.81) SLC6A9PPARDMTNR1AMTNR1B
SCHEMBL1761249 0.88 SLC6A9 (0.79) SLC6A9PPARDMTNR1AMTNR1BKDM4C
SCHEMBL7698317 0.86 SLC6A9 (0.76) SLC6A9PPARDMTNR1AMTNR1BSLC8A1
SCHEMBL7709022 0.86 SLC6A9 (0.76) SLC6A9PPARDMTNR1AMTNR1BSLC8A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP claimed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US claimed
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed