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SCHEMBL2153296

SCHEMBL2153296

CC1(c2ccc(F)cc2)C(=O)Nc2sc(Cl)c(-c3ccc(F)cc3)c2C1=O.CC1(c2cccc(F)c2)C(=O)Nc2sc(Cl)c(-c3ccc(F)cc3)c2C1=O.Cc1ccc(C2(C)C(=O)Nc3sc(Cl)c(-c4ccc(F)cc4)c3C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.37
▸ DRD1 P21728 2/20 0.36
▸ MGAT2 Q10469 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32

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
SCHEMBL2153281 0.96 HTR6 (0.39) HTR6DRD1MGAT2HTR1AHTR2A
SCHEMBL2153810 0.94 HTR6 (0.40) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153683 0.92 HTR6 (0.38) HTR6
SCHEMBL2153271 0.92 HTR6 (0.38) HTR6
SCHEMBL14718137 0.92 HTR6 (0.38) HTR6
SCHEMBL14719239 0.90 HTR6 (0.38) HTR6DRD1
SCHEMBL14718046 0.90 HTR6 (0.39) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153248 0.88 HTR6 (0.42) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL14718466 0.88 HTR6 (0.44) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153167 0.88 HTR6 (0.39) HTR6DRD1

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
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