SCHEMBL6188718

SCHEMBL6188718

COc1cc(CNC(=O)OC(C)(C)C)c(N)c(C(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
HTT P42858 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4A O75164 1/20 0.41
KCNA5 P22460 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL8206463 0.86 KCNA5 (0.43) KDM4AKCNA5HDAC1
SCHEMBL6192178 0.83 KCNA5 (0.48) LMNAKDM4AKCNA5HDAC1GAA
SCHEMBL9747010 0.78 LMNA (0.49) ALDH1A1HPGDLMNACYP1A2PGR
SCHEMBL10904673 0.77 CYP1A2 (0.48) ALDH1A1HPGDLMNACYP1A2PGR
SCHEMBL8198762 0.76 KDM4A (0.40) KDM4AKCNA5HDAC1
SCHEMBL8199082 0.75 NQO2 (0.44) LMNAMEN1KMT2A
SCHEMBL21987962 0.75 GFER (0.46) EPHX2KDM4AGFERHSD17B10L3MBTL1
SCHEMBL30710501 0.75 CYP19A1 (0.48) ALDH1A1HPGDLMNAMAPK1HTT
SCHEMBL10397002 0.75 LMNA (0.46) ALDH1A1HPGDLMNACYP1A2PGR
SCHEMBL11462112 0.75

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 4 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
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