SCHEMBL4745409

SCHEMBL4745409

CN1CC=C(c2cn(S(=O)(=O)c3ccc(C(=O)O)o3)c3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.69
DRD2 P14416 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL3339347 0.90 HTR6 (0.63) HTR6DRD2
SCHEMBL4676436 0.82 HTR6 (1.00) HTR6DRD2CYP3A4CYP2D6
SCHEMBL3342638 0.80 HTR6 (0.66) HTR6
SCHEMBL3335694 0.78 HTR6 (0.58) HTR6
SCHEMBL3340082 0.77 HTR6 (0.68) HTR6
SCHEMBL3340018 0.77 HTR6 (0.46) HTR6
SCHEMBL3338538 0.76 HTR6 (0.83) HTR6DRD2
SCHEMBL4673875 0.76 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL5473805 0.76 HTR6 (0.87) HTR6DRD2CYP3A4CYP2D6
SCHEMBL3336465 0.76 HTR6 (0.74) HTR6DRD2

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
EP-1984351-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 WO disclosed