SCHEMBL6188764

SCHEMBL6188764

CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2NCc2ccco2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.39
USP2 O75604 2/20 0.39
APP P05067 6/20 0.39
AQP1 P29972 1/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6189547 0.88 MRGPRX4 (0.41) MAPTHTTNPSR1LMNACTSK
SCHEMBL6191680 0.85 GAA (0.41) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL6188662 0.84 GAA (0.40) POLBALDH1A1TP53RAB9AGLS
SCHEMBL6188321 0.83 GLS (0.38) HTTLMNAKDM4ERAB9AGLS
SCHEMBL6188620 0.83 HPGD (0.40) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL6190392 0.80 MEN1 (0.43) SMN1; SMN2THRBPOLBMEN1KMT2A
SCHEMBL6189178 0.80 PTGER1 (0.43) SMN1; SMN2THRBPOLBMEN1KMT2A
SCHEMBL6190235 0.80 CTSL (0.39) ALDH1A1MAPTHTTNPSR1LMNA
SCHEMBL6188694 0.80 CTSL (0.41) POLBALDH1A1LMNAKDM4EGLS
SCHEMBL6188601 0.78 GLS (0.42) ALDH1A1LMNAKDM4EGLS

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