SCHEMBL7013785

SCHEMBL7013785

C=CCNC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 15/20 0.46
JAK2 O60674 4/20 0.45
JAK3 P52333 4/20 0.45
JAK1 P23458 2/20 0.45
TTK P33981 1/20 0.41

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
SCHEMBL647566 0.90 NPY1R (0.46) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7018732 0.89 NPY1R (0.48) NPY1RJAK2JAK3JAK1TTK
SCHEMBL12946434 0.89 NPY1R (0.51) NPY1RJAK2JAK3JAK1
SCHEMBL7016178 0.88 NPY1R (0.50) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7017960 0.88 NPY1R (0.47) NPY1RJAK2JAK3JAK1
SCHEMBL7011726 0.87 NPY1R (0.51) NPY1RJAK2JAK3JAK1
SCHEMBL7011569 0.86 NPY1R (0.48) NPY1RJAK2JAK3JAK1
SCHEMBL7009275 0.86 NPY1R (0.57) NPY1RJAK2JAK3JAK1
SCHEMBL7016779 0.85 NPY1R (0.46) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7018007 0.85 NPY1R (0.47) NPY1RJAK2JAK3JAK1

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