SCHEMBL6528852

SCHEMBL6528852

CC(C)c1ccc(S(=O)(=O)n2cc(C3CN(C)CC3Cl)c3c(Cl)cccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.57
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
MCOLN3 Q8TDD5 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
SCHEMBL6529490 0.76 CYP3A4 (0.60) HTR6CYP3A4CYP2D6
SCHEMBL3201746 0.69 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL947398 0.64 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL947354 0.64 HTR6 (0.85) HTR6CYP3A4CYP2D6
SCHEMBL3202386 0.64 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL4772641 0.63 HTR6 (0.69) HTR6CYP3A4CYP2D6
SCHEMBL947230 0.63 HTR6 (0.69) HTR6CYP3A4CYP2D6
SCHEMBL946272 0.63 HTR6 (0.69) HTR6CYP3A4CYP2D6
SCHEMBL741573 0.63 HTR6 (0.49) HTR6CYP3A4CYP2D6
SCHEMBL13257974 0.63 HTR6 (0.53) HTR6

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-2005066157-A1 3-(PYROLIDIN-3-L) INDOLES AS 5-HT6 RECEPTOR MODULATORS SUVEN LIFE SCIENCES (IN) 2005-07-21 WO disclosed