SCHEMBL4965225

SCHEMBL4965225

COc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2-c2ccccc2)c2c1C[C@@H](N)CC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.44
ADRA1A P35348 3/20 0.44
HTR6 P50406 1/20 0.42
QRFPR Q96P65 1/20 0.42
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35

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
SCHEMBL4201656 0.89 ADRA1A (0.46) ACLYADRA1AHTR6QRFPRDRD2
SCHEMBL4214386 0.78 HTR6 (0.52) ACLYHTR6QRFPRDRD2DRD3
SCHEMBL4201083 0.77 DRD2 (0.42) ACLYHTR6QRFPRDRD2DRD3
SCHEMBL4209430 0.77 HTR6 (0.42) ACLYHTR6QRFPRDRD2DRD3
SCHEMBL4211776 0.76 CA1 (0.41) ACLYHTR6QRFPR
SCHEMBL4209428 0.74 PPARG (0.40) ACLYHTR6QRFPRDRD2DRD3
SCHEMBL13942853 0.73 HTR6 (0.41) ACLYHTR6QRFPRDRD2DRD3
SCHEMBL13942868 0.72 CACNB4 (0.41) ACLYHTR6QRFPR
SCHEMBL4199329 0.72 HTR6 (0.48) ACLYADRA1AHTR6QRFPRDRD2
SCHEMBL4966544 0.68 HTR6 (0.74) ADRA1AHTR6QRFPR

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
EP-1888517-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126939-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed