SCHEMBL6188692

SCHEMBL6188692

CC(C)(C)CNc1ccc(Cl)cc1C(O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MAPT P10636 1/20 0.38
RORC P51449 2/20 0.38
CDK1 P06493 1/20 0.37
TSHR P16473 1/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NR1I3 Q14994 1/20 0.36

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
SCHEMBL6189582 0.83 HPGD (0.43) IDO1PRMT5WDR77HPGDALOX15
SCHEMBL6188282 0.79 GAA (0.45) IDO1RAB9AMEN1KMT2A
SCHEMBL13776429 0.78 MEN1 (0.47) HPGDMAPTRAB9AHSP90AA1HSP90AB1
SCHEMBL6187411 0.77 FDFT1 (0.40) IDO1
SCHEMBL6189547 0.75 MRGPRX4 (0.41) MAPT
SCHEMBL19857728 0.73 CYP3A4 (0.46) IDO1HPGDMAPTRAB9AHSP90AA1
SCHEMBL19426702 0.73 IDO1 (0.49) IDO1PRMT5WDR77HPGDALOX15
SCHEMBL6191680 0.73 GAA (0.41) MAPT
SCHEMBL3790245 0.73 HPGD (0.63) HPGDALOX15SIRT2SIRT1MAPT
SCHEMBL8254664 0.73 AAK1 (0.39) RAB9AHSP90AA1HSP90AB1MEN1KMT2A

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