SCHEMBL5333028

SCHEMBL5333028

CN1CCN(Cc2c(CS(=O)(=O)c3ccccc3)[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HTR6 P50406 10/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TNKS O95271 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL5335593 0.91 MPO (0.46) MPODRD2DRD4DRD3HTR6
SCHEMBL5327792 0.90 HTR6 (0.52) MPODRD2DRD4DRD3HTR6
SCHEMBL5333246 0.88 POLB (0.45) DRD2DRD4DRD3HTR6POLB
SCHEMBL5333140 0.88 HTR6 (0.48) HTR6POLB
SCHEMBL5335447 0.87 DRD2 (0.50) MPODRD2DRD4DRD3HTR6
SCHEMBL5333836 0.86 HTR6 (0.52) MPOHTR6POLBCYP3A4CYP2D6
SCHEMBL5331983 0.86 HTR6 (0.52) MPOHTR6CYP3A4CYP2D6
SCHEMBL5330544 0.82 HTR6 (0.43) MPODRD2DRD4DRD3HTR6
SCHEMBL5328593 0.81 ALDH1A1 (0.46) HTR6POLB
SCHEMBL5334580 0.80 ALDH1A1 (0.44) DRD2DRD4DRD3HTR6POLB

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
WO-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO claimed
WO-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO disclosed