SCHEMBL7012159

SCHEMBL7012159

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CCc3nc(C)c(CCC)s3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 19/20 0.61
KCNH2 Q12809 2/20 0.50
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL7015208 0.95 NPY1R (0.67) NPY1RKCNH2
SCHEMBL7016692 0.91 NPY1R (0.52) NPY1RKCNH2JAK2JAK1JAK3
SCHEMBL7012065 0.90 NPY1R (0.53) NPY1RKCNH2JAK2JAK1JAK3
SCHEMBL7017201 0.90 NPY1R (0.63) NPY1RKCNH2
SCHEMBL7014850 0.89 NPY1R (0.54) NPY1RKCNH2JAK2JAK1JAK3
SCHEMBL7016515 0.87 NPY1R (0.53) NPY1RKCNH2JAK2JAK1JAK3
SCHEMBL7102412 0.86 NPY1R (0.53) NPY1RKCNH2JAK2JAK1JAK3
SCHEMBL7017458 0.86 NPY1R (0.83) NPY1RKCNH2
SCHEMBL7019028 0.85 NPY1R (0.70) NPY1RKCNH2
SCHEMBL7015755 0.84 NPY1R (0.54) NPY1RKCNH2JAK2JAK1JAK3

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