SCHEMBL7012014

SCHEMBL7012014

CCOC(OC)(c1cc(N2CCOCC2)cc(N(Cc2cccc([N+](=O)[O-])c2)C(=O)OC(C)(C)C)n1)[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.37
SLC6A5 Q9Y345 3/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AOC3 Q16853 2/20 0.36
MET P08581 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL7013002 0.82 JAK3 (0.36) AOC3LMNASMN1; SMN2JAK2JAK3
SCHEMBL7012017 0.78 SLC6A9 (0.35) SLC6A9SLC6A5ALDH1A1METJAK2
SCHEMBL7012012 0.78 SLC6A9 (0.35) SLC6A9SLC6A5ALDH1A1METJAK2
SCHEMBL7020495 0.71 KCNH2 (0.39) ALDH1A1LMNASMN1; SMN2KMT2AKCNH2
SCHEMBL7020395 0.69 NPY1R (0.34) SLC6A9SLC6A5ALDH1A1LMNASMN1; SMN2
SCHEMBL7016427 0.69 CFTR (0.40) ALDH1A1L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL2377249 0.69 HTR7 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6679985 0.68 CYP2D6 (0.51) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL7012953 0.68 AOC3 (0.36) AOC3
SCHEMBL30270586 0.67 CYP1A2 (0.52) ALDH1A1LMNASMN1; SMN2KMT2AMAPT

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