SCHEMBL2153248

SCHEMBL2153248

CC1(c2ccc(F)cc2)C(=O)Nc2sc(Cl)c(-c3ccccc3)c2C1=O.Cc1cccc(C2(C)C(=O)Nc3sc(Cl)c(-c4ccccc4)c3C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.42
DRD1 P21728 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
NPY5R Q15761 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL14718046 0.94 HTR6 (0.39) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL14717737 0.93 HTR6 (0.44) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL14719195 0.92 HTR6 (0.38) HTR6DRD1NPY5R
SCHEMBL14718876 0.91 HTR6 (0.43) HTR6MMP2MMP9
SCHEMBL14719141 0.89 HTR6 (0.38) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL14718595 0.89 HTR6 (0.46) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153296 0.88 HTR6 (0.37) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL14718466 0.88 HTR6 (0.44) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153211 0.88 HTR6 (0.41) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153426 0.87 HTR6 (0.38) HTR6DRD1HTR1AHTR2AHTR7

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-2519527-A1 THIENO [2,3-B]PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF Poxel (FR) 2012-11-07 EP claimed
WO-2011080277-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2011-07-07 WO claimed
EP-2519527-A1 THIENO [2,3-B]PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF Poxel (FR) 2012-11-07 EP disclosed
WO-2011080277-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2011-07-07 WO disclosed