SCHEMBL6190237

SCHEMBL6190237

CC(C)(C)OC(=O)NCc1cccc(C(=O)c2cc(Cl)ccc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
GLS O94925 2/20 0.42
HDAC1 Q13547 1/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
CTSL P07711 1/20 0.41
BRD4 O60885 2/20 0.41
CREBBP Q92793 1/20 0.41
NOS2 P35228 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
VNN1 O95497 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 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
SCHEMBL6192699 0.89 KDM4E (0.47) GAAHPGDLMNACTSLKDM4E
SCHEMBL6191669 0.89 GAA (0.50) GAAHDAC1LMNANOS2RECQL
SCHEMBL6191077 0.88 KDM4E (0.50) GAAGLSHDAC1HPGDBRD4
SCHEMBL24460145 0.87 LMNA (0.46) GAAHPGDLMNA
SCHEMBL13163629 0.82 HDAC1 (0.54) HDAC1HPGDALDH1A1
SCHEMBL6187593 0.82 HDAC1 (0.44) GLSHDAC1HPGDBRD4KDM4E
SCHEMBL6187380 0.81 FADS1 (0.53) HDAC1HPGDALDH1A1RECQL
SCHEMBL6285318 0.81 CTSL (0.56) GAAGLSCTSLBRD4KDM4E
SCHEMBL6189525 0.80 CA1 (0.45) HPGDLMNAKDM4EALDH1A1HSD17B10
SCHEMBL6191926 0.80 HDAC1 (0.44) GLSHDAC1HPGDBRD4KDM4E

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