SCHEMBL6185337

SCHEMBL6185337

CC(C)(C)OC(=O)NCCc1cccc(C(O)c2cc(Cl)ccc2N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CA2 P00918 2/20 0.41
CTSL P07711 1/20 0.40
IDO1 P14902 2/20 0.40
LMNA P02545 1/20 0.39
NQO2 P16083 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL8206799 0.94 KDM4E (0.42) KDM4ECA2CTSLIDO1LMNA
SCHEMBL6188694 0.90 CTSL (0.41) KDM4ECTSLIDO1LMNAALDH1A1
SCHEMBL6188262 0.89 CA2 (0.44) KDM4ECA2IDO1LMNAALDH1A1
SCHEMBL28745235 0.84 GAA (0.40) KDM4ECTSLIDO1LMNAALDH1A1
SCHEMBL7665564 0.83 AAK1 (0.39) KDM4ECTSLIDO1ALDH1A1HPGD
SCHEMBL8205220 0.83 CA1 (0.42) KDM4ECA2IDO1LMNAALDH1A1
SCHEMBL6189480 0.82 KDM4E (0.41) KDM4ECTSLIDO1ALDH1A1HPGD
SCHEMBL6188601 0.82 GLS (0.42) KDM4ECTSLLMNAALDH1A1
SCHEMBL6189582 0.81 HPGD (0.43) IDO1HPGDKMT2AMEN1MAPT
SCHEMBL6192309 0.81 GAA (0.48) CA2IDO1LMNAKMT2AHTT

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 3 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