SCHEMBL6187411

SCHEMBL6187411

CC(C)(C)CNc1ccc(Cl)cc1C(O)c1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.40
KCNA5 P22460 1/20 0.39
MAPK8 P45983 1/20 0.38
LPAR1 Q92633 1/20 0.38
IDO1 P14902 2/20 0.38
KDM4A O75164 1/20 0.38
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 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
SCHEMBL6189254 0.84 KCNA5 (0.41) FDFT1KCNA5MAPK8LPAR1IDO1
SCHEMBL6188282 0.83 GAA (0.45) IDO1DRD2GAA
SCHEMBL6190137 0.82 KCNA5 (0.44) FDFT1KCNA5MAPK8LPAR1IDO1
SCHEMBL31444360 0.80 KCNA5 (0.47) FDFT1KCNA5IDO1KDM4AHDAC10
SCHEMBL8118267 0.77 FDFT1 (0.48) FDFT1
SCHEMBL4529177 0.77 KCNA5 (0.47) KCNA5IDO1KDM4AHDAC10HDAC6
SCHEMBL6191830 0.77 HDAC6 (0.40) FDFT1KCNA5MAPK8IDO1KDM4A
SCHEMBL8110836 0.77 FDFT1 (0.46) FDFT1LPAR1
SCHEMBL6188692 0.77 IDO1 (0.42) IDO1
SCHEMBL15594413 0.76 IDO1 (0.48) KCNA5IDO1KDM4ADRD2POLB

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