SCHEMBL5331983

SCHEMBL5331983

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.52
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 1/20 0.42
MPO P05164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL5327792 0.94 HTR6 (0.52) HTR6CYP3A4CYP2D6HSD17B10KMT2A
SCHEMBL5336272 0.91 HSD17B10 (0.45) HTR6HSD17B10KMT2AKDM4EALDH1A1
SCHEMBL5335199 0.90 HTR6 (0.46) HTR6HSD17B10KMT2AKDM4EALDH1A1
SCHEMBL5333246 0.90 POLB (0.45) HTR6CYP3A4CYP2D6HSD17B10KMT2A
SCHEMBL5333836 0.88 HTR6 (0.52) HTR6CYP3A4CYP2D6KMT2AMPO
SCHEMBL5335593 0.87 MPO (0.46) HTR6CYP3A4CYP2D6MPOKDM4E
SCHEMBL5330544 0.86 HTR6 (0.43) HTR6HSD17B10KMT2AMPOKDM4E
SCHEMBL5332975 0.86 HTR6 (0.50) HTR6KMT2AALDH1A1
SCHEMBL5333028 0.86 MPO (0.47) HTR6CYP3A4CYP2D6MPO
SCHEMBL5329261 0.84 HTR6 (0.49) HTR6CYP3A4CYP2D6KMT2AMPO

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