SCHEMBL4456849

SCHEMBL4456849

CCc1ccccc1S(=O)(=O)NC(C)CCN1CCC(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 14/20 0.50
▸ HTR2A P28223 3/20 0.43
▸ HTR2C P28335 3/20 0.43
▸ SIGMAR1 Q99720 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ACHE P22303 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3945353 0.83 HTR7 (0.49) HTR7HTR2AHTR2CSIGMAR1DRD2
SCHEMBL8643575 0.73 HTR7 (0.70) HTR7HTR2AHTR2CDRD2HTR1D
SCHEMBL14375364 0.69 SIGMAR1 (0.68) SIGMAR1ACHE
SCHEMBL2729765 0.68 HTR7 (0.74) HTR7HTR2AHTR2CSIGMAR1DRD2
SCHEMBL13347712 0.66 ACHE (0.70) DRD2DRD3ACHESMN1; SMN2
SCHEMBL4456846 0.66 HTR7 (0.58) HTR7SIGMAR1DRD2HTR1DDRD3
SCHEMBL8557028 0.66 CARM1 (0.55) HTR7SIGMAR1DRD2HTR1DDRD3
SCHEMBL8557026 0.66 CARM1 (0.55) HTR7SIGMAR1DRD2HTR1DDRD3
SCHEMBL13469360 0.65 L3MBTL1 (0.53) SMN1; SMN2
SCHEMBL8552181 0.65 HTR7 (0.77) HTR7HTR2AHTR2CDRD2HTR1D

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-2052251-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-29 — — EP disclosed
WO-2008013556-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICAL N.V. (BE) 2008-01-31 — — WO disclosed
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