SCHEMBL7015353

SCHEMBL7015353

CCc1cnc(CCc2cc(N3CCOCC3)cc(NC(=O)OC(C)(C)C)n2)o1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.56
NPY1R P25929 12/20 0.51
BRD4 O60885 1/20 0.38
PRKDC P78527 1/20 0.38
GAA P10253 1/20 0.38
MTOR P42345 1/20 0.36
PIK3R1 P27986 3/20 0.36
PIK3CA P42336 3/20 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
SCHEMBL960822 0.86 KCNH2 (0.77) KCNH2NPY1RBRD4PRKDCGAA
SCHEMBL7015881 0.82 KCNH2 (0.51) KCNH2NPY1RBRD4PRKDC
SCHEMBL7018612 0.81 KCNH2 (0.49) KCNH2NPY1RBRD4PRKDC
SCHEMBL7016153 0.81 KCNH2 (0.48) KCNH2NPY1RBRD4PRKDCGAA
SCHEMBL12946506 0.81 KCNH2 (0.48) KCNH2NPY1RBRD4PRKDCGAA
SCHEMBL7016743 0.81 KCNH2 (0.48) KCNH2NPY1RBRD4PRKDC
SCHEMBL7019934 0.79 NPY1R (0.61) KCNH2NPY1R
SCHEMBL7015665 0.79 KCNH2 (0.48) KCNH2NPY1RBRD4PRKDC
SCHEMBL7015058 0.79 KCNH2 (0.47) KCNH2NPY1RBRD4PRKDC
SCHEMBL961779 0.75 NPY1R (0.65) KCNH2NPY1R

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