SCHEMBL6187627

SCHEMBL6187627

COc1ccc(Cc2ccc(OCc3ccccc3)cc2)c(C(O)c2cccc(CC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
FFAR1 O14842 7/20 0.38
MAOB P27338 2/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GNA15 P30679 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
SCHEMBL6192204 0.78 HDAC1 (0.43)
SCHEMBL6192307 0.78 HDAC1 (0.42) MTNR1AMTNR1BFFAR1
SCHEMBL21455761 0.71 MTNR1A (0.59) MTNR1AMTNR1BRAB9ASMN1; SMN2MRGPRX4
SCHEMBL2174555 0.71 L3MBTL1 (0.54) TDP1MTNR1AMTNR1BRAB9ASMN1; SMN2
SCHEMBL6187559 0.71 MEN1 (0.42) PKMRAB9ASMN1; SMN2
SCHEMBL27578835 0.70 CTBP2 (0.55) MTNR1AMTNR1BSMN1; SMN2L3MBTL1
SCHEMBL29483752 0.70 SLC7A5 (0.45) MTNR1AMTNR1B
SCHEMBL30408970 0.70 SLC7A5 (0.45) MTNR1AMTNR1B
SCHEMBL28608667 0.70 SLC7A5 (0.45) MTNR1AMTNR1B
SCHEMBL13195398 0.69 S1PR1 (0.54) ALOX5SMN1; SMN2MRGPRX4FFAR1MAOB

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