SCHEMBL6527092

SCHEMBL6527092

CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
HTR6 P50406 15/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6530503 0.91 CYP3A4 (0.83) CYP3A4CYP2D6HTR6L3MBTL1CA12
SCHEMBL6532617 0.89 CYP3A4 (0.79) CYP3A4CYP2D6HTR6L3MBTL1CA2
SCHEMBL6529121 0.85 CYP3A4 (0.74) CYP3A4CYP2D6HTR6DRD2HTR2A
SCHEMBL6528817 0.83 CYP3A4 (0.71) CYP3A4CYP2D6HTR6L3MBTL1HTR2A
SCHEMBL6530751 0.78 CYP3A4 (0.64) CYP3A4CYP2D6HTR6DRD2HTR2A
SCHEMBL5251999 0.78 HTR6 (0.78) CYP3A4CYP2D6HTR6L3MBTL1CA12
SCHEMBL6529490 0.75 CYP3A4 (0.60) CYP3A4CYP2D6HTR6HTR2A
SCHEMBL3644542 0.75 HTR6 (1.00) CYP3A4CYP2D6HTR6L3MBTL1CA12
SCHEMBL6529028 0.74 HTR6 (0.60) CYP3A4CYP2D6HTR6DRD2HTR2A
SCHEMBL6528108 0.74 HTR6 (0.60) CYP3A4CYP2D6HTR6DRD2HTR2A

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