SCHEMBL7718989

SCHEMBL7718989

CC(C)(C)OC(=O)NC1CCN(Cc2cccc(O)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.45
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 6/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
FPR2 P25090 1/20 0.40
BRD4 O60885 1/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 1/20 0.40
SCN9A Q15858 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL7718985 1.00 NPY1R (0.45) NPY1RKMT2AL3MBTL1F10HDAC1
SCHEMBL7927436 0.88 KMT2A (0.56) NPY1RKMT2AL3MBTL1HDAC1HDAC8
SCHEMBL6818563 0.88 KMT2A (0.56) NPY1RKMT2AL3MBTL1HDAC1HDAC8
SCHEMBL7936884 0.88 KMT2A (0.56) NPY1RKMT2AL3MBTL1HDAC1HDAC8
SCHEMBL1065805 0.87 SCN9A (0.50) NPY1RKMT2ASIGMAR1SCN9A
SCHEMBL1065804 0.87 SCN9A (0.50) NPY1RKMT2ASIGMAR1SCN9A
SCHEMBL7714192 0.86 KMT2A (0.46) NPY1RKMT2AL3MBTL1F10
SCHEMBL7714189 0.86 KMT2A (0.46) NPY1RKMT2AL3MBTL1F10
SCHEMBL2332156 0.86 FNTA (0.46) NPY1RKMT2AL3MBTL1BRD4
SCHEMBL22911243 0.83 ALDH1A1 (0.51) NPY1RKMT2AL3MBTL1F10SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed