SCHEMBL8201522

SCHEMBL8201522

CN1CCCC1Cc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.84
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL8201520 1.00 HTR6 (0.84) HTR6CYP3A4CYP2D6
SCHEMBL8208531 0.91 HTR6 (1.00) HTR6
SCHEMBL8208527 0.91 HTR6 (1.00) HTR6
SCHEMBL8208038 0.88 HTR6 (1.00) HTR6
SCHEMBL8201574 0.88 HTR6 (1.00) HTR6
SCHEMBL8213978 0.86 HTR6 (0.82) HTR6
SCHEMBL8208595 0.86 HTR6 (0.82) HTR6
SCHEMBL8209793 0.85 HTR6 (0.75) HTR6CYP3A4CYP2D6
SCHEMBL8209790 0.85 HTR6 (0.75) HTR6CYP3A4CYP2D6
SCHEMBL8209383 0.80 HTR6 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
WO-1999047516-A1 3-(2-PYRROLIDINYLMETHYL)-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY SLASSI ABDELMALIK (CA) 1999-09-23 WO disclosed