SCHEMBL4958896

SCHEMBL4958896

COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c2c1CC(N)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.56
QRFPR Q96P65 1/20 0.56
ADRA1A P35348 3/20 0.53
TP53 P04637 2/20 0.53
HSD11B1 P28845 1/20 0.47
HSD17B2 P37059 1/20 0.47
FABP4 P15090 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALPL P05186 1/20 0.40

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
SCHEMBL4516618 1.00 HTR6 (0.56) HTR6QRFPRADRA1ATP53HSD11B1
SCHEMBL4962886 0.90 HTR6 (0.57) HTR6QRFPRADRA1ATP53HSD11B1
SCHEMBL4512908 0.90 HTR6 (0.57) HTR6QRFPRADRA1ATP53HSD11B1
SCHEMBL4518506 0.87 HTR6 (0.52) HTR6QRFPRADRA1AHSD11B1HSD17B2
SCHEMBL4963653 0.87 HTR6 (0.52) HTR6QRFPRADRA1AHSD11B1HSD17B2
SCHEMBL4507652 0.87 THRB (0.57) HTR6QRFPRADRA1AHSD11B1HSD17B2
SCHEMBL4960350 0.87 THRB (0.57) HTR6QRFPRADRA1AHSD11B1HSD17B2
SCHEMBL4966544 0.86 HTR6 (0.74) HTR6QRFPRADRA1ATP53NPSR1
SCHEMBL4505443 0.86 HTR6 (0.74) HTR6QRFPRADRA1ATP53NPSR1
SCHEMBL4508627 0.85 ADRA1A (0.57) HTR6QRFPRADRA1AHSD11B1HSD17B2

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-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed