SCHEMBL6529028

SCHEMBL6529028

COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.60
CYP3A4 P08684 4/20 0.60
CYP2D6 P10635 4/20 0.60
HTR2A P28223 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL6530751 0.94 CYP3A4 (0.64) HTR6CYP3A4CYP2D6HTR2AHTR1A
SCHEMBL6528108 0.90 HTR6 (0.60) HTR6CYP3A4CYP2D6HTR2AHTR1A
SCHEMBL6529121 0.90 CYP3A4 (0.74) HTR6CYP3A4CYP2D6HTR2AHTR1A
SCHEMBL6527747 0.89 HTR6 (0.62) HTR6CYP3A4CYP2D6HTR2AHTR1A
SCHEMBL6532617 0.84 CYP3A4 (0.79) HTR6CYP3A4CYP2D6
SCHEMBL6530503 0.84 CYP3A4 (0.83) HTR6CYP3A4CYP2D6
SCHEMBL6530026 0.82 CYP3A4 (0.52) HTR6CYP3A4CYP2D6HTR2ADRD2
SCHEMBL6528427 0.80 CYP3A4 (0.57) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL6529764 0.80 HTR6 (0.61) HTR6CYP3A4CYP2D6HTR2ADRD2
SCHEMBL6528929 0.79 CYP3A4 (0.56) HTR6CYP3A4CYP2D6HTR2ADRD2

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