SCHEMBL6188620

SCHEMBL6188620

CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2NCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.39
HTRA1 Q92743 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
PLA2G1B P04054 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 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
SCHEMBL6188662 0.91 GAA (0.40) ALDH1A1GAAHTRA1OPRM1OPRL1
SCHEMBL6189547 0.91 MRGPRX4 (0.41) LMNAGAAHDAC1CYP1A2CYP3A4
SCHEMBL6191680 0.91 GAA (0.41) LMNAGAAHTRA1HDAC1CYP1A2
SCHEMBL6190392 0.84 MEN1 (0.43) ALDH1A1LMNAGAAHDAC1MEN1
SCHEMBL6188764 0.83 SMN1; SMN2 (0.41) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL6188238 0.82 HDAC1 (0.47) GAAHDAC1MEN1PLA2G1BKMT2A
SCHEMBL6188321 0.82 GLS (0.38) LMNAGAAHDAC1CYP3A4GLS
SCHEMBL6189178 0.80 PTGER1 (0.43) HPGDALDH1A1LMNAGAAMEN1
SCHEMBL6190235 0.80 CTSL (0.39) ALDH1A1LMNAGAAHDAC1CYP1A2
SCHEMBL6188694 0.80 CTSL (0.41) ALDH1A1LMNAGAAHDAC1GLS

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