SCHEMBL7018463

SCHEMBL7018463

CCOC(=O)c1cc(N2CCOCC2)cc(CSc2nnc(CC)s2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.43
KCNH2 Q12809 3/20 0.39
PIK3CA P42336 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CSNK1D P48730 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7019783 0.89 NPY1R (0.43) NPY1RKCNH2LMNAMAPTKMT2A
SCHEMBL7012960 0.79 NPY1R (0.46) NPY1RKCNH2MAPT
SCHEMBL7009282 0.78 PIK3CA (0.48) NPY1RKCNH2PIK3CASIRT2SIRT1
SCHEMBL17594976 0.78 PIK3CA (0.54) PIK3CASIRT2SIRT1LMNAMAPT
SCHEMBL7011726 0.77 NPY1R (0.51) NPY1RKCNH2
SCHEMBL7012855 0.73 NPY1R (0.56) NPY1RKCNH2PIK3CA
SCHEMBL7012282 0.73 HTR2C (0.38) NPY1RLMNAMAPTMEN1KMT2A
SCHEMBL7016178 0.73 NPY1R (0.50) NPY1R
SCHEMBL7012625 0.73 NPY1R (0.51) NPY1RKCNH2
SCHEMBL7011569 0.73 NPY1R (0.48) NPY1RMAPTNPC1RAB9ASMN1; SMN2

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