SCHEMBL6189596

SCHEMBL6189596

CC(C)(C)OC(=O)NCc1c(Cl)ccc(C(=O)c2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
KDM4A O75164 1/20 0.40
HDAC1 Q13547 2/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
LMNA P02545 2/20 0.38
MAPK14 Q16539 2/20 0.37
DRD2 P14416 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
KCNA5 P22460 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8198762 0.86 KDM4A (0.40) KDM4AHDAC1PPARGPPARAPPARD
SCHEMBL6192178 0.80 KCNA5 (0.48) KDM4AHDAC1PPARGPPARAPPARD
SCHEMBL8206463 0.79 KCNA5 (0.43) KDM4AHDAC1KCNA5ACACBACACA
SCHEMBL21484075 0.77 POLB (0.59) POLBMAPK1ATMKDM4ALMNA
SCHEMBL14907839 0.75 POLB (0.53) POLBMAPK1ATMKDM4AHDAC1
SCHEMBL27530730 0.75 POLB (0.41) POLBMAPK1ATMKDM4AHDAC1
SCHEMBL8211311 0.73 LMNA (0.45) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL6188718 0.73 EPHX2 (0.41) MAPK1KDM4AHDAC1LMNAKCNA5
SCHEMBL8199082 0.73 NQO2 (0.44) LMNA
SCHEMBL27541444 0.72 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11GAA

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