SCHEMBL7016602

SCHEMBL7016602

CCc1nnc(SCc2cc(N3CCOCC3)cc(NCc3cccc(N(C(=O)OC)C4CC4)c3)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 19/20 0.46
KCNH2 Q12809 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 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 0.93 NPY1R (0.47) NPY1RKCNH2
SCHEMBL7018061 0.88 NPY1R (0.46) NPY1RKCNH2PIK3CAPIK3CB
SCHEMBL7016178 0.84 NPY1R (0.50) NPY1R
SCHEMBL7017636 0.84 NPY1R (0.50) NPY1RKCNH2
SCHEMBL7016781 0.84 NPY1R (0.45) NPY1RKCNH2PIK3CAPIK3CB
SCHEMBL7015352 0.83 NPY1R (0.53) NPY1RKCNH2
SCHEMBL7019032 0.83 NPY1R (0.55) NPY1RKCNH2
SCHEMBL7013783 0.82 NPY1R (0.46) NPY1RKCNH2
SCHEMBL12946434 0.82 NPY1R (0.51) NPY1RKCNH2
SCHEMBL7012855 0.82 NPY1R (0.56) NPY1RKCNH2PIK3CAPIK3CB

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