SCHEMBL6192174

SCHEMBL6192174

CC(C)(C)OC(=O)C(N)c1cccc(C(=O)c2ccccc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ELANE P08246 1/20 0.41
ABCB1 P08183 1/20 0.39
SLC7A5 Q01650 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
AKR1C3 P42330 1/20 0.37
MAPK14 Q16539 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA1 P30542 2/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
ABCB11 O95342 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL27513393 0.83 GABRP (0.40) GAAMAPTSLC7A5LMNA
SCHEMBL2159034 0.79 MAPT (0.42) GAAMAPTSLC7A5AAK1ALDH1A1
SCHEMBL27514084 0.79 MAPT (0.39) GAAMAPTELANESLC7A5AAK1
SCHEMBL27541444 0.79 MAPK14 (0.38) GAAMAPTELANEABCB1AAK1
Ethane SCHEMBL27542331 0.78 MAPT (0.38) GAAMAPTELANEABCB1SLC7A5
SCHEMBL27536860 0.78 AAK1 (0.37) GAAMAPTELANEABCB1SLC7A5
SCHEMBL27536819 0.78 SIRT2 (0.36) MAPTABCB1SLC7A5AAK1BCL2
SCHEMBL2739304 0.76 BCL2 (0.54) GAAMAPTAKR1C3MAPK14LMNA
SCHEMBL7203924 0.76 AAK1 (0.39) SLC7A5AAK1LMNAALDH1A1KMT2A
SCHEMBL1965798 0.76 CA12 (0.37) MAPTSLC7A5AAK1LMNAALDH1A1

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
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US disclosed
CN-1252795-A 4, 1-benzoxazepine *, their analogs and their use as somatostatin agonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-05-10 CN disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed