SCHEMBL7016743

SCHEMBL7016743

COC(=O)CCc1cc(N2CCOCC2)cc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.48
NPY1R P25929 12/20 0.45
PRKDC P78527 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
AKT1 P31749 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CD274 Q9NZQ7 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
SCHEMBL7018612 0.91 KCNH2 (0.49) KCNH2NPY1RPRKDCBRD4MAPT
SCHEMBL7015058 0.88 KCNH2 (0.47) KCNH2NPY1RPRKDCBRD4MAPT
SCHEMBL7015665 0.87 KCNH2 (0.48) KCNH2NPY1RPRKDCBRD4MAPT
SCHEMBL12946506 0.86 KCNH2 (0.48) KCNH2NPY1RPRKDCBRD4MAPT
SCHEMBL7016153 0.86 KCNH2 (0.48) KCNH2NPY1RPRKDCBRD4MAPT
SCHEMBL7015881 0.82 KCNH2 (0.51) KCNH2NPY1RPRKDCBRD4MAPT
SCHEMBL960822 0.81 KCNH2 (0.77) KCNH2NPY1RPRKDCBRD4
SCHEMBL7015353 0.81 KCNH2 (0.56) KCNH2NPY1RPRKDCBRD4
SCHEMBL7019934 0.79 NPY1R (0.61) KCNH2NPY1R
SCHEMBL7020498 0.78 KCNH2 (0.41) KCNH2NPY1RPRKDCBRD4MAPT

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