SCHEMBL7012953

SCHEMBL7012953

CC(C)(C)OC(=O)N(Cc1cccc(N)c1)c1cc(N2CCOCC2)cc(COC2CCCCO2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.36
USP30 Q70CQ3 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.34
CETP P11597 1/20 0.33
AGXT P21549 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CTSL P07711 1/20 0.32
LGMN Q99538 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32

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
SCHEMBL7016912 0.89 HTR2C (0.35) AOC3USP30NAPEPLDHTR2CSLC6A4
SCHEMBL167647 0.87 HTR2C (0.35) AOC3USP30NAPEPLDHTR2CSLC6A4
SCHEMBL7015313 0.83 PIK3C2B (0.34) NAPEPLDHTR2CSLC6A4SLC16A3SLC16A1
SCHEMBL960988 0.83 HTR2C (0.34) USP30NAPEPLDCETPHTR2CSLC6A4
SCHEMBL7015714 0.83 USP30 (0.34) USP30HTR2CSLC6A4LGMNLNPEP
SCHEMBL7018655 0.83 AOC3 (0.36) AOC3USP30NAPEPLDCETPAGXT
SCHEMBL7018651 0.82 AOC3 (0.35) AOC3USP30NAPEPLDCETPAGXT
SCHEMBL7018069 0.79 HTR2C (0.31) HTR2CSLC6A4
SCHEMBL959862 0.78 HTR2C (0.34) HTR2CSLC6A4
SCHEMBL7017580 0.77 NPY1R (0.37) HTR2CSLC6A4

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
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed