SCHEMBL7015017

SCHEMBL7015017

C=CCOC(=O)Nc1cc(CNc2cc(N3CCOCC3)cc(CSc3ncc(CC)s3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.45
KCNH2 Q12809 3/20 0.35
STAT6 P42226 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL7009349 0.91 NPY1R (0.48) NPY1RKCNH2
SCHEMBL7011945 0.91 NPY1R (0.47) NPY1RKCNH2
SCHEMBL7019260 0.91 NPY1R (0.56) NPY1RKCNH2
SCHEMBL7018682 0.90 NPY1R (0.54) NPY1RKCNH2
SCHEMBL7013728 0.90 NPY1R (0.46) NPY1RKCNH2STAT6
SCHEMBL7015274 0.89 NPY1R (0.46) NPY1R
SCHEMBL7014102 0.82 NPY1R (0.57) NPY1RKCNH2
SCHEMBL7013913 0.82 NPY1R (0.48) NPY1RKCNH2
SCHEMBL7012625 0.82 NPY1R (0.51) NPY1RKCNH2
SCHEMBL7014951 0.82 NPY1R (0.49) 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