SCHEMBL7015274

SCHEMBL7015274

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3ncc(CC)s3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.46
JAK3 P52333 5/20 0.46
JAK2 O60674 5/20 0.46
JAK1 P23458 3/20 0.46
TTK P33981 2/20 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
SCHEMBL7019510 0.92 NPY1R (0.45) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7009349 0.91 NPY1R (0.48) NPY1R
SCHEMBL7019260 0.90 NPY1R (0.56) NPY1R
SCHEMBL647566 0.90 NPY1R (0.46) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7013728 0.90 NPY1R (0.46) NPY1RJAK3JAK2JAK1
SCHEMBL7016590 0.90 NPY1R (0.57) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7015755 0.90 NPY1R (0.54) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7019780 0.90 NPY1R (0.45) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7016655 0.90 NPY1R (0.45) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7015017 0.89 NPY1R (0.45) NPY1R

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