SCHEMBL6189993

SCHEMBL6189993

CC(C)COc1ccc(NCc2ccc(OCc3ccccc3)cc2)c(C(O)c2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
PSMB1 P20618 8/20 0.39
PSMB5 P28074 7/20 0.39
PSMB9 P28065 6/20 0.39
PSMB8 P28062 6/20 0.39
PSMB10 P40306 4/20 0.39
PSMB2 P49721 4/20 0.39
NTSR1 P30989 1/20 0.39
POLB P06746 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TACR1 P25103 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 0.88 HDAC1 (0.43) HDAC1MEN1KMT2AMAPTALOX12
SCHEMBL6192258 0.82 HDAC1 (0.44) HDAC1MEN1KMT2AALOX12PSMB1
SCHEMBL6188833 0.82 HDAC1 (0.41) HDAC1MEN1KMT2AMAPTALOX12
SCHEMBL6188632 0.81 BCHE (0.42) HDAC1MEN1KMT2AMAPTALOX12
SCHEMBL6192565 0.81 BCL2 (0.46) HDAC1MEN1KMT2AALOX12POLB
SCHEMBL6189547 0.81 MRGPRX4 (0.41) HDAC1MAPT
SCHEMBL6190392 0.80 MEN1 (0.43) HDAC1MEN1KMT2AMAPTPOLB
SCHEMBL6192307 0.78 HDAC1 (0.42) HDAC1MEN1KMT2APSMB1PSMB5
SCHEMBL6188626 0.78 POLB (0.41) HDAC1MEN1KMT2AALOX12POLB
SCHEMBL6189178 0.77 PTGER1 (0.43) MEN1KMT2AMAPTPOLB

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