SCHEMBL7016596

SCHEMBL7016596

C=CCOC(=O)Nc1cccc(C(CCC(=O)OC)N(C(=O)OC(C)(C)C)c2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.34
KCNH2 Q12809 1/20 0.34
CASR P41180 1/20 0.32

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
SCHEMBL7012030 0.95 NPY1R (0.34) NPY1RKCNH2CASR
SCHEMBL7011470 0.93 NPY1R (0.35) NPY1RKCNH2CASR
SCHEMBL7014495 0.86 NPY1R (0.34) NPY1R
SCHEMBL7022460 0.85 NPY1R (0.40) NPY1RKCNH2
SCHEMBL7021884 0.85 AKT1 (0.35) NPY1RKCNH2
SCHEMBL7022451 0.80 NPY1R (0.36) NPY1RKCNH2
SCHEMBL7016539 0.79 NPY1R (0.40) NPY1RKCNH2
SCHEMBL7013292 0.79 NPY1R (0.48) NPY1RKCNH2
SCHEMBL7018031 0.79 TSHR (0.35) NPY1RKCNH2
SCHEMBL7018244 0.79 NPY1R (0.41) NPY1RKCNH2

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