SCHEMBL5327792

SCHEMBL5327792

CN1CCN(Cc2c(CS(=O)(=O)c3ccc(Br)cc3)[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.52
MPO P05164 3/20 0.45
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TNKS O95271 1/20 0.39
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5331983 0.94 HTR6 (0.52) HTR6MPOCYP3A4CYP2D6KMT2A
SCHEMBL5330544 0.92 HTR6 (0.43) HTR6MPODRD2DRD4DRD3
SCHEMBL5335593 0.91 MPO (0.46) HTR6MPOCYP3A4CYP2D6DRD2
SCHEMBL5333028 0.90 MPO (0.47) HTR6MPOCYP3A4CYP2D6DRD2
SCHEMBL5332975 0.88 HTR6 (0.50) HTR6KMT2AALDH1A1
SCHEMBL5336272 0.87 HSD17B10 (0.45) HTR6KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL5333836 0.86 HTR6 (0.52) HTR6MPOCYP3A4CYP2D6KMT2A
SCHEMBL5335199 0.86 HTR6 (0.46) HTR6KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL5333246 0.86 POLB (0.45) HTR6CYP3A4CYP2D6DRD2DRD4
SCHEMBL5329261 0.86 HTR6 (0.49) HTR6MPOCYP3A4CYP2D6DRD2

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