SCHEMBL6529490

SCHEMBL6529490

CC(C)c1ccc(S(=O)(=O)n2cc(C3=C(Cl)CN(C)C3)c3c(Cl)cccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.60
CYP2D6 P10635 5/20 0.60
HTR6 P50406 19/20 0.59
HTR2A P28223 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
SCHEMBL6527747 0.78 HTR6 (0.62) CYP3A4CYP2D6HTR6HTR2A
SCHEMBL6528427 0.77 CYP3A4 (0.57) CYP3A4CYP2D6HTR6HTR2A
SCHEMBL6528852 0.76 HTR6 (0.57) CYP3A4CYP2D6HTR6
SCHEMBL6527092 0.75 CYP3A4 (1.00) CYP3A4CYP2D6HTR6HTR2A
SCHEMBL6530503 0.74 CYP3A4 (0.83) CYP3A4CYP2D6HTR6
SCHEMBL6532617 0.72 CYP3A4 (0.79) CYP3A4CYP2D6HTR6
SCHEMBL3201746 0.70 HTR6 (1.00) CYP3A4CYP2D6HTR6HTR2A
SCHEMBL6530751 0.69 CYP3A4 (0.64) CYP3A4CYP2D6HTR6HTR2A
SCHEMBL6528817 0.68 CYP3A4 (0.71) CYP3A4CYP2D6HTR6HTR2A
SCHEMBL6529121 0.67 CYP3A4 (0.74) CYP3A4CYP2D6HTR6HTR2A

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