SCHEMBL1380901

SCHEMBL1380901

O=S(=O)(Nc1cccc(Cl)c1)c1ccc(N2CCCNCC2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.55
BRD4 O60885 1/20 0.47
GUSB P08236 1/20 0.46

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
SCHEMBL1379250 0.96 HTR6 (0.58) HTR6BRD4GUSB
SCHEMBL1380651 0.88 HTR6 (0.60) HTR6
Hydrochloric Acid SCHEMBL5550931 0.87 HTR6 (0.59) HTR6
SCHEMBL1380970 0.85 MEN1 (0.49) HTR6
SCHEMBL1380667 0.85 HTR6 (0.48) HTR6
SCHEMBL1381062 0.84 HTR6 (0.47) HTR6
SCHEMBL3609792 0.83 HTR6 (0.66) HTR6BRD4
SCHEMBL30735820 0.83 HTR6 (0.66) HTR6BRD4
SCHEMBL4313175 0.83 HTR6 (0.57) HTR6
Hydrochloric Acid SCHEMBL6047117 0.82 HTR6 (0.64) HTR6

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
JP-4731114-B2 2011-07-20 JP claimed