SCHEMBL7016255

SCHEMBL7016255

CCC(c1cccc([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)cc(COC2CCCCO2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
TACR1 P25103 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7016776 0.83 CASR (0.35) MAPTSMN1; SMN2
SCHEMBL167647 0.75 HTR2C (0.35)
SCHEMBL7011740 0.75 CASR (0.36)
SCHEMBL960988 0.74 HTR2C (0.34)
SCHEMBL7012953 0.74 AOC3 (0.36)
SCHEMBL7016912 0.70 HTR2C (0.35)
SCHEMBL7012012 0.70 SLC6A9 (0.35) ALDH1A1SLC6A9SLC6A5MAPT
SCHEMBL7012017 0.69 SLC6A9 (0.35) ALDH1A1SLC6A9SLC6A5
SCHEMBL113716 0.69 KCNH2 (0.41) ALDH1A1MAPTLMNA
SCHEMBL959862 0.69 HTR2C (0.34)

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