SCHEMBL5465765

SCHEMBL5465765

CCN(CC)CCc1c(CSc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.60
HTR2C P28335 10/20 0.60
DRD2 P14416 8/20 0.46
HTR6 P50406 2/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
MPO P05164 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL11812493 0.79 HTR2A (0.57) HTR2AHTR2CDRD2HTR6CHRNB2
SCHEMBL11806316 0.76 HTR6 (0.57) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL7645002 0.75 HTR2A (1.00) HTR2AHTR2CDRD2HTR6
SCHEMBL5330477 0.75 HTR2A (0.57) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL20970934 0.75 HTR6 (0.71) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL29536604 0.75 HTR6 (0.71) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL5330012 0.74 HTR2A (0.49) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL30288461 0.74 HTR2A (0.67) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL30288465 0.74 HTR2A (0.67) HTR2AHTR2CDRD2HTR6HTR1A
SCHEMBL5308657 0.73 HTR6 (0.46) HTR2AHTR2CDRD2HTR6HTR1A

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