SCHEMBL3580282

SCHEMBL3580282

CCC(N)COc1cc(F)cc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.41
AKR1B1 P15121 1/20 0.35
HTR2B P41595 3/20 0.35
HTR2C P28335 2/20 0.35

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
SCHEMBL3580279 0.84 HTR6 (0.39) HTR6AKR1B1HTR2BHTR2C
SCHEMBL3535820 0.83 HTR6 (0.43) HTR6AKR1B1HTR2BHTR2C
SCHEMBL3531185 0.83 HTR6 (0.43) HTR6AKR1B1HTR2C
Hydrochloric Acid SCHEMBL3532662 0.82 HTR6 (0.43) HTR6AKR1B1HTR2BHTR2C
SCHEMBL3532631 0.82 HTR6 (0.39) HTR6AKR1B1HTR2BHTR2C
SCHEMBL3531881 0.82 HTR1B (0.47) HTR6AKR1B1
SCHEMBL3535815 0.81 HTR1D (0.45) HTR6AKR1B1
SCHEMBL3532929 0.81 HTR6 (0.49) HTR6AKR1B1HTR2C
Hydrochloric Acid SCHEMBL3532656 0.81 HTR1D (0.44) HTR6AKR1B1
SCHEMBL3532243 0.78 HTR6 (0.49) HTR6HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed