SCHEMBL6965973

SCHEMBL6965973

CC(C)(C)OC(=O)Nc1cccc(CCCl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP17A1 P05093 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
GLS O94925 1/20 0.43
NPY1R P25929 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL7911540 0.89 AURKA (0.49) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL30844047 0.87 CYP3A4 (0.50) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL13801959 0.87 CYP3A4 (0.50) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL27498370 0.87 CYP3A4 (0.50) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL13623152 0.87 CYP3A4 (0.50) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL7156537 0.87 MGLL (0.52) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL13735759 0.86 CYP3A4 (0.49) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL31370757 0.86 AURKA (0.50) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL16246164 0.86 CYP3A4 (0.49) CYP3A4CYP2C19AURKARPS6KB1SIRT2
SCHEMBL7972399 0.85 CYP3A4 (0.48) CYP3A4CYP2C19AURKARPS6KB1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1137120-C 5, 11-dihydrodibenzo [ b, e ] [1,4] oxazepine * derivatives and pharmaceutical compositions containing the same ֮����ʽ���� 2004-02-04 CN disclosed
US-6562808-B1 Calcium channel antagonists effective in treating intestinal diseases caused by abnormal acceleration of the contraction of intestinal tracts such as irritable bowel syndrome, without significant cardiac effects AJINOMOTO CO., INC. (JP) 2003-05-13 US disclosed
EP-1020466-B1 5,11-DIHYDRODIBENZ[b,e][1,4]OXAZEPINE DERIVATIVES AND MEDICINAL COMPOSITION CONTAINING THE SAME AJINOMOTO KK (JP) 2003-02-19 EP disclosed
CN-1278816-A 5, 11-dihydrodibenzo [ b, e ] [1,4] oxazepine * derivatives and pharmaceutical compositions containing the same AJINOMOTO KK (JP) 2001-01-03 CN disclosed
EP-1020466-A1 5,11-DIHYDRODIBENZ[b,e][1,4]OXAZEPINE DERIVATIVES AND MEDICINAL COMPOSITION CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2000-07-19 EP disclosed