SCHEMBL7010930

SCHEMBL7010930

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 16/20 0.46
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
JAK1 P23458 2/20 0.44
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 0.92 NPY1R (0.46) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7017021 0.91 NPY1R (0.46) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7012025 0.90 NPY1R (0.45) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7018703 0.90 NPY1R (0.45) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7019510 0.90 NPY1R (0.45) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7102412 0.89 NPY1R (0.53) NPY1RJAK2JAK3JAK1TTK
SCHEMBL8057456 0.87 NPY1R (0.49) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7016590 0.87 NPY1R (0.57) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7015274 0.87 NPY1R (0.46) NPY1RJAK2JAK3JAK1TTK
SCHEMBL7015755 0.87 NPY1R (0.54) NPY1RJAK2JAK3JAK1TTK

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