SCHEMBL6192565

SCHEMBL6192565

CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2NCCCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.46
HDAC1 Q13547 1/20 0.43
GID4 Q8IVV7 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCHE P06276 3/20 0.38
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL6192258 0.95 HDAC1 (0.44) BCL2HDAC1GID4POLBNPC1
SCHEMBL6190392 0.85 MEN1 (0.43) HDAC1POLBNPC1ALDH1A1HTT
SCHEMBL6189547 0.84 MRGPRX4 (0.41) HDAC1HTTNPSR1
SCHEMBL6189178 0.83 PTGER1 (0.43) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6188632 0.83 BCHE (0.42) BCL2HDAC1GID4POLBNPC1
SCHEMBL6188626 0.81 POLB (0.41) BCL2HDAC1GID4POLBNPC1
SCHEMBL6189993 0.81 HDAC1 (0.46) HDAC1POLBALOX12MEN1KMT2A
SCHEMBL6191680 0.80 GAA (0.41) HDAC1HTTNPSR1
SCHEMBL6187559 0.80 MEN1 (0.42) HDAC1POLBNPC1ALDH1A1ALOX12
SCHEMBL6192307 0.79 HDAC1 (0.42) BCL2HDAC1MEN1KMT2ABCHE

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