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SCHEMBL5228788

SCHEMBL5228788

CN(C)CCC(O)c1cn(S(=O)(=O)c2ccccc2Br)c2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.51
▸ KLK7 P49862 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL5231136 0.87 HTR6 (0.47) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5231031 0.82 HTR6 (0.57) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5227167 0.81 HTR6 (0.44) HTR6KLK7
SCHEMBL3601701 0.80 HTR6 (0.68) HTR6
SCHEMBL5228736 0.80 HTR6 (0.49) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5325258 0.78 HTR6 (0.53) HTR6KLK7CYP3A4ADRA2ACYP2D6
SCHEMBL3562367 0.78 HTR6 (0.53) HTR6KLK7CYP3A4ADRA2ACYP2D6
SCHEMBL948738 0.78 HTR6 (0.62) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5477723 0.77 HTR6 (0.52) HTR6KLK7CYP3A4ADRA2ACYP2D6
SCHEMBL946596 0.74 HTR6 (0.65) 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