SCHEMBL6188632

SCHEMBL6188632

CC(CNC(=O)OC(C)(C)C)c1cccc(C(O)c2cc(Cl)ccc2NCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.41
PPARA Q07869 2/20 0.40
GID4 Q8IVV7 1/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL2 P10415 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL6191245 0.90 HDAC1 (0.42) NPSR1HDAC1HTTCYP1A2CYP2D6
SCHEMBL6188626 0.86 POLB (0.41) POLBNPSR1MEN1MAPK1KMT2A
SCHEMBL8210584 0.85 MAPT (0.37) POLBMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6192258 0.84 HDAC1 (0.44) BCHEPOLBNPSR1MEN1MAPK1
SCHEMBL6186981 0.83 HDAC1 (0.43) NPSR1HDAC1PPARAHTTCYP1A2
SCHEMBL6189547 0.83 MRGPRX4 (0.41) NPSR1HDAC1HTTCYP1A2CYP2D6
SCHEMBL6192565 0.83 BCL2 (0.46) BCHEPOLBNPSR1MEN1MAPK1
SCHEMBL6190392 0.82 MEN1 (0.43) POLBMEN1KMT2AHDAC1PPARA
SCHEMBL6189993 0.81 HDAC1 (0.46) POLBMEN1KMT2AHDAC1ALOX12
SCHEMBL6191515 0.81 PPARA (0.45) POLBNPSR1MEN1MAPK1KMT2A

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