SCHEMBL7101967

SCHEMBL7101967

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 20/20 0.53
KCNH2 Q12809 1/20 0.38

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 0.90 NPY1R (0.46) NPY1R
SCHEMBL7012020 0.89 NPY1R (0.45) NPY1RKCNH2
SCHEMBL7016209 0.89 NPY1R (0.47) NPY1RKCNH2
SCHEMBL7018659 0.89 NPY1R (0.48) NPY1RKCNH2
SCHEMBL7101964 0.87 NPY1R (0.38) NPY1RKCNH2
SCHEMBL7018783 0.86 NPY1R (0.44) NPY1RKCNH2
SCHEMBL7011390 0.86 NPY1R (0.44) NPY1RKCNH2
SCHEMBL7014655 0.86 NPY1R (0.44) NPY1RKCNH2
SCHEMBL7009484 0.86 NPY1R (0.45) NPY1RKCNH2
SCHEMBL7012625 0.86 NPY1R (0.51) 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