SCHEMBL7012017

SCHEMBL7012017

CC(C)(C)OC(=O)N(Cc1cccc([N+](=O)[O-])c1)c1cc(N2CCOCC2)cc(COCOCC[Si](C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.35
SLC6A5 Q9Y345 3/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
MET P08581 3/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7018655 0.89 AOC3 (0.36) KMT2A
SCHEMBL7012012 0.88 SLC6A9 (0.35) SLC6A9SLC6A5JAK2JAK3PTK2
SCHEMBL7013004 0.82 AKT1 (0.36) JAK2JAK3METNPC1RAB9A
SCHEMBL7012014 0.78 SLC6A9 (0.37) SLC6A9SLC6A5JAK2JAK3PTK2
SCHEMBL7018651 0.77 AOC3 (0.35)
SCHEMBL7012953 0.72 AOC3 (0.36)
SCHEMBL7012999 0.71 JAK3 (0.35) JAK2JAK3MET
SCHEMBL7020498 0.71 KCNH2 (0.41) KMT2ANPC1KCNH2RAB9A
SCHEMBL7020395 0.69 NPY1R (0.34) SLC6A9SLC6A5KMT2ANPC1KCNH2
SCHEMBL7016255 0.69 ALDH1A1 (0.34) SLC6A9SLC6A5ALDH1A1

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