SCHEMBL5771847

SCHEMBL5771847

CNC1CCc2ccc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.57
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
UBE2N P61088 1/20 0.36

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
SCHEMBL5774777 0.90 HTR6 (0.56) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL3209365 0.90 HTR6 (0.70) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL5772333 0.89 HTR6 (0.54) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL5772310 0.89 HTR6 (0.54) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL5771499 0.87 HTR6 (0.52) HTR6DRD2DRD3HTR1A
SCHEMBL3212054 0.87 HTR6 (0.52) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL5775637 0.85 HTR6 (0.51) HTR6DRD2DRD3HTR1A
SCHEMBL5738248 0.84 HTR6 (0.59) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL13422076 0.83 HTR6 (0.82) HTR6
SCHEMBL3198398 0.80 HTR6 (0.52) HTR6DRD2DRD3HTR2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682502-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-07-26 EP claimed
WO-2005047252-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-05-26 WO claimed
EP-1682502-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-07-26 EP disclosed
WO-2005047252-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-05-26 WO disclosed