SCHEMBL6188262

SCHEMBL6188262

CC(C)(C)OC(=O)NCCc1ccc(C(O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
CA1 P00915 2/20 0.44
LMNA P02545 1/20 0.43
IDO1 P14902 2/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL8205220 0.94 CA1 (0.42) CA2CA1LMNAIDO1ALDH1A1
SCHEMBL6192309 0.89 GAA (0.48) CA2CA1LMNAIDO1NAMPT
SCHEMBL6185337 0.89 KDM4E (0.45) CA2CA1LMNAIDO1NAMPT
SCHEMBL6191215 0.84 AAK1 (0.40) IDO1ALDH1A1KDM4EHPGDHTT
SCHEMBL8206799 0.83 KDM4E (0.42) CA2CA1LMNAIDO1ALDH1A1
SCHEMBL6190141 0.81 GAA (0.48) CA2CA1IDO1NAMPTSMN1; SMN2
SCHEMBL6188694 0.80 CTSL (0.41) LMNAIDO1ALDH1A1KDM4EGAA
SCHEMBL6191209 0.80 AAK1 (0.33) IDO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6186419 0.80 HDAC1 (0.43) LMNANAMPTALDH1A1KDM4EHPGD
SCHEMBL6189525 0.79 CA1 (0.45) CA2CA1LMNAIDO1NAMPT

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 5 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
CN-1252795-A 4, 1-benzoxazepine *, their analogs and their use as somatostatin agonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-05-10 CN 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