SCHEMBL4409876

SCHEMBL4409876

CC(C)C(=O)NCCOc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.NCCOc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC1 Q13547 11/20 0.50
HDAC6 Q9UBN7 6/20 0.50
HDAC3 O15379 4/20 0.45
HDAC2 Q92769 4/20 0.45
NCOR2 Q9Y618 2/20 0.45
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA9 Q16790 3/20 0.43

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
SCHEMBL1993693 0.95 HTR6 (0.57) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL1996167 0.85 HTR6 (0.67) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL1997952 0.85 HTR6 (0.61) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL25455094 0.74 HTR6 (0.66) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL707042 0.71 HDAC1 (0.74) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL18872786 0.71 HDAC3 (0.46) HTR6HDAC1HDAC6HDAC3HDAC2
SCHEMBL430473 0.71 HTR6 (1.00) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL1998285 0.71 HTR6 (0.51) HTR6BCHE
SCHEMBL3205915 0.69 HTR6 (0.65) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL1997016 0.69 HTR6 (0.55) HTR6POLBL3MBTL1MEN1KMT2A

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-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed