SCHEMBL5228765

SCHEMBL5228765

COc1ccc(S(=O)(=O)n2cc(C(O)CCN3CCCCC3)c3ccccc32)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.51
CYP3A4 P08684 2/20 0.49
ADRA2A P08913 2/20 0.49
CYP2D6 P10635 2/20 0.49
ADRA2C P18825 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR2A P28223 1/20 0.49
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5226476 0.99 HTR6 (0.51) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5227156 0.90 HTR6 (0.48) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5232161 0.87 HTR6 (0.53) HTR6CYP3A4CYP2D6L3MBTL1
SCHEMBL5227430 0.86 HTR6 (0.53) HTR6CYP3A4CYP2D6L3MBTL1
SCHEMBL5228736 0.84 HTR6 (0.49) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5231031 0.80 HTR6 (0.57) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL946708 0.75 HTR6 (0.56) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL946237 0.74 HTR6 (0.81) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5231136 0.74 HTR6 (0.47) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Hydrochloric Acid SCHEMBL947681 0.73 HTR6 (0.79) HTR6CYP3A4ADRA2ACYP2D6ADRA2C

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
EP-1523486-B1 TETRACYCLIC ARYLSULFONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-11-07 EP disclosed