SCHEMBL5330477

SCHEMBL5330477

CCN(CC)CCc1c(CS(=O)(=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.57
HTR2C P28335 7/20 0.57
DRD2 P14416 6/20 0.44
HTR6 P50406 4/20 0.43
HTR1A P08908 2/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MPI P34949 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL5332993 0.87 MPO (0.45) HTR2AHTR2CDRD2HTR6HTR1A
Hydrochloric Acid SCHEMBL5332344 0.86 HTR2A (0.54) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL5330718 0.80 HTR6 (0.54) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL5331960 0.78 CHRNB2 (0.46) HTR2AKMT2AKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL11859405 0.77 HTR6 (0.53) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL5465765 0.75 HTR2A (0.60) HTR2AHTR2CDRD2HTR6HTR1A
Hydrochloric Acid SCHEMBL5330712 0.74 HTR6 (0.43) HTR2AHTR2CHTR6HTR1AKMT2A
Hydrochloric Acid SCHEMBL5334181 0.74 HTR6 (0.43) HTR2AHTR2CHTR6HTR1AMPO
Hydrochloric Acid SCHEMBL5331946 0.74 HTR6 (0.55) HTR2AHTR2CHTR6HTR1AMPO
SCHEMBL7645002 0.73 HTR2A (1.00) HTR2AHTR2CDRD2HTR6

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 claimed