SCHEMBL7101612

SCHEMBL7101612

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CCc3ncc(CC)o3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.47
JAK2 O60674 5/20 0.47
JAK1 P23458 3/20 0.47
NPY1R P25929 9/20 0.47
KCNH2 Q12809 9/20 0.46
TTK P33981 2/20 0.45
LMNA P02545 1/20 0.39

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
SCHEMBL7018375 0.88 NPY1R (0.47) JAK3JAK2JAK1NPY1RKCNH2
SCHEMBL7016515 0.87 NPY1R (0.53) JAK3JAK2JAK1NPY1RKCNH2
SCHEMBL7014850 0.86 NPY1R (0.54) JAK3JAK2JAK1NPY1RKCNH2
SCHEMBL7019795 0.85 JAK2 (0.46) JAK3JAK2JAK1NPY1RKCNH2
SCHEMBL7021213 0.84 NPY1R (0.46) JAK3JAK2JAK1NPY1RKCNH2
SCHEMBL7016692 0.84 NPY1R (0.52) JAK3JAK2JAK1NPY1RKCNH2
SCHEMBL7015208 0.83 NPY1R (0.67) NPY1RKCNH2
SCHEMBL7018157 0.83 JAK3 (0.47) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7011706 0.82 NPY1R (0.47) JAK3JAK2JAK1NPY1RKCNH2
SCHEMBL7102412 0.82 NPY1R (0.53) JAK3JAK2JAK1NPY1RKCNH2

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