SCHEMBL5333836

SCHEMBL5333836

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.52
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
MPO P05164 1/20 0.40
DDR1 Q08345 7/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL5328593 0.94 ALDH1A1 (0.46) HTR6ALDH1A1MEN1POLBKMT2A
SCHEMBL5334120 0.91 POLB (0.46) HTR6ALDH1A1MEN1POLBKMT2A
SCHEMBL5332975 0.90 HTR6 (0.50) HTR6ALDH1A1MEN1POLBKMT2A
SCHEMBL5333140 0.90 HTR6 (0.48) HTR6ALDH1A1MEN1POLBKMT2A
SCHEMBL5331983 0.88 HTR6 (0.52) HTR6ALDH1A1KMT2AMPOCYP3A4
SCHEMBL5335593 0.87 MPO (0.46) HTR6POLBMPOCYP3A4CYP2D6
SCHEMBL5327792 0.86 HTR6 (0.52) HTR6ALDH1A1KMT2AMPOCYP3A4
SCHEMBL5335199 0.86 HTR6 (0.46) HTR6ALDH1A1MEN1POLBKMT2A
SCHEMBL5333028 0.86 MPO (0.47) HTR6POLBMPOCYP3A4CYP2D6
SCHEMBL5331060 0.86 ALDH1A1 (0.46) HTR6ALDH1A1MEN1POLBKMT2A

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 1 patent. 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 disclosed