SCHEMBL7009280

SCHEMBL7009280

CCc1nnc(SCc2cc(N3CCOCC3)cc(NCc3cccc(NC(=O)OCc4ccco4)c3)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 17/20 0.45
JAK2 O60674 3/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
TTK P33981 1/20 0.36

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
SCHEMBL7011726 0.91 NPY1R (0.51) NPY1RJAK2JAK1JAK3
SCHEMBL7018063 0.90 NPY1R (0.46) NPY1RJAK2JAK1JAK3TTK
SCHEMBL7013653 0.90 NPY1R (0.45) NPY1RJAK2JAK1JAK3TTK
SCHEMBL7011569 0.90 NPY1R (0.48) NPY1RJAK2JAK1JAK3
SCHEMBL7016178 0.89 NPY1R (0.50) NPY1RJAK2JAK1JAK3TTK
SCHEMBL7018007 0.88 NPY1R (0.47) NPY1RJAK2JAK1JAK3
SCHEMBL7016290 0.88 NPY1R (0.48) NPY1RJAK2JAK1JAK3
SCHEMBL7021805 0.88 NPY1R (0.46) NPY1RJAK2JAK1JAK3
SCHEMBL7015872 0.88 NPY1R (0.46) NPY1RJAK2JAK1JAK3
SCHEMBL7016607 0.88 NPY1R (0.46) NPY1RJAK2JAK1JAK3TTK

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