SCHEMBL2729628

SCHEMBL2729628

CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.69
PGR P06401 1/20 0.69
SLC6A4 P31645 1/20 0.69
KCNH2 Q12809 1/20 0.69
PDE3B Q13370 1/20 0.69
PDE3A Q14432 1/20 0.69
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 3/20 0.53
CRBN Q96SW2 4/20 0.52
HTT P42858 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL7269908 0.91 SLC6A4 (0.78) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL2718633 0.90 GAA (0.67) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7319943 0.88 NR3C1 (0.66) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL10081890 0.87 NR3C1 (0.61) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7267767 0.86 SLC6A4 (0.72) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11046347 0.84 NR3C1 (0.62) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL10081884 0.84 NR3C1 (0.56) NR3C1PGRSLC6A4KCNH2PDE3B
Iodide SCHEMBL11041065 0.83 NR3C1 (0.61) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7274351 0.83 NR3C1 (0.64) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7302842 0.82 SLC6A4 (0.67) NR3C1PGRSLC6A4KCNH2PDE3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061597-A1 ALPHA-GLUCOSIDASE BINDERS AND METHODS OF THEIR USE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2012-05-10 WO disclosed
WO-2012061597-A1 ALPHA-GLUCOSIDASE BINDERS AND METHODS OF THEIR USE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2012-05-10 WO disclosed