SCHEMBL7013783

SCHEMBL7013783

C=CCN(C(N)=O)c1cccc(CNc2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 19/20 0.46
KCNH2 Q12809 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL7017956 0.87 NPY1R (0.47) NPY1RKCNH2
SCHEMBL7017636 0.84 NPY1R (0.50) NPY1RKCNH2
SCHEMBL7009294 0.82 NPY1R (0.55) NPY1RKCNH2
SCHEMBL7019032 0.82 NPY1R (0.55) NPY1RKCNH2
SCHEMBL7013785 0.82 NPY1R (0.46) NPY1RJAK2JAK1JAK3
SCHEMBL7016602 0.82 NPY1R (0.46) NPY1RKCNH2
SCHEMBL647566 0.82 NPY1R (0.46) NPY1RJAK2JAK1JAK3
SCHEMBL7016781 0.82 NPY1R (0.45) NPY1RKCNH2
SCHEMBL7018061 0.82 NPY1R (0.46) NPY1RKCNH2
SCHEMBL12946434 0.81 NPY1R (0.51) 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