SCHEMBL4418093

SCHEMBL4418093

COc1cc2c(ccn2S(=O)(=O)c2ccccc2Cl)c2c1OCCN(C(=O)O)C2C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.40
HTR6 P50406 8/20 0.39
CYP3A4 P08684 1/20 0.35
CPT1A P50416 5/20 0.34
CPT1B Q92523 3/20 0.34
CPT2 P23786 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL1999848 0.90 HTR6 (0.39) FABP4HTR6CYP3A4LMNATSHR
SCHEMBL1997934 0.83 ALDH1A1 (0.36) HTR6CYP3A4CPT1ACPT1BCPT2
SCHEMBL1998511 0.81 FABP4 (0.37) FABP4HTR6MET
SCHEMBL1995809 0.81 HTR6 (0.43) FABP4HTR6CYP3A4MET
Trifluoroacetic Acid SCHEMBL1995689 0.80 HTR6 (0.39) FABP4HTR6CYP3A4LMNATSHR
Trifluoroacetic Acid SCHEMBL4562899 0.79 CPT2 (0.31) CPT1ACPT1BCPT2
SCHEMBL1997745 0.76 TSHR (0.39) CPT1ACPT1BCPT2LMNATSHR
SCHEMBL4563388 0.74 MCOLN3 (0.39) FABP4CPT1ACPT1BCPT2TSHR
SCHEMBL1996300 0.73 HTR6 (0.35) HTR6TSHR
Trifluoroacetic Acid SCHEMBL1998592 0.73 CPT1A (0.33) FABP4HTR6CYP3A4CPT1ACPT1B

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