SCHEMBL7015755

SCHEMBL7015755

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(CC)s3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.54
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
JAK3 P52333 2/20 0.44
KCNH2 Q12809 1/20 0.43
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
SCHEMBL7012065 0.95 NPY1R (0.53) NPY1RJAK2JAK1JAK3KCNH2
SCHEMBL7016590 0.94 NPY1R (0.57) NPY1RJAK2JAK1JAK3TTK
SCHEMBL8052258 0.92 NPY1R (0.57) NPY1RKCNH2
SCHEMBL7011579 0.90 NPY1R (0.66) NPY1RKCNH2
SCHEMBL647566 0.90 NPY1R (0.46) NPY1RJAK2JAK1JAK3TTK
SCHEMBL7017313 0.90 NPY1R (0.55) NPY1RKCNH2
SCHEMBL7015274 0.90 NPY1R (0.46) NPY1RJAK2JAK1JAK3TTK
SCHEMBL7019780 0.90 NPY1R (0.45) NPY1RJAK2JAK1JAK3TTK
SCHEMBL7015208 0.89 NPY1R (0.67) NPY1RKCNH2
SCHEMBL8057456 0.89 NPY1R (0.49) 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