SCHEMBL7011391

SCHEMBL7011391

C=CCOC(=O)N(C(=O)OC(C)(C)C)c1cccc(CNc2cc(N3CCOCC3)cc(COC3CCCCO3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK1 P23458 3/20 0.36
JAK3 P52333 3/20 0.36
NPY1R P25929 11/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CA P42336 1/20 0.34
TTK P33981 1/20 0.33
KCNH2 Q12809 1/20 0.32
STAT6 P42226 2/20 0.32
HDAC4 P56524 1/20 0.32
MEF2D Q14814 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
SCHEMBL7018069 0.75 HTR2C (0.31)
SCHEMBL113716 0.74 KCNH2 (0.41) NPY1RPIK3CAKCNH2
SCHEMBL7011740 0.74 CASR (0.36) JAK2JAK1JAK3NPY1RKCNH2
SCHEMBL7016776 0.73 CASR (0.35) NPY1RKCNH2
SCHEMBL7012036 0.73 ZAP70 (0.32)
SCHEMBL7017580 0.72 NPY1R (0.37) NPY1RKCNH2
SCHEMBL7012953 0.72 AOC3 (0.36)
SCHEMBL7012955 0.70 KCNH2 (0.35) NPY1RKCNH2
SCHEMBL167647 0.70 HTR2C (0.35) NPY1RPIK3CB
SCHEMBL113428 0.70 KCNH2 (0.36) NPY1RKCNH2

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